Reaction Details Report a problem with these data
Target
Relaxin-3 receptor 1
Ligand
BDBM50382993
Substrate
n/a
Meas. Tech.
ChEMBL_818425 (CHEMBL2034745)
Ki
109.65±n/a nM
Citation
 Shabanpoor, F; Akhter Hossain, M; Ryan, PJ; Belgi, A; Layfield, S; Kocan, M; Zhang, S; Samuel, CS; Gundlach, AL; Bathgate, RA; Separovic, F; Wade, JD Minimization of human relaxin-3 leading to high-affinity analogues with increased selectivity for relaxin-family peptide 3 receptor (RXFP3) over RXFP1. J Med Chem 55:1671-81 (2012) [PubMed]  Article 
Target
Name:
Relaxin-3 receptor 1
Synonyms:
G protein-coupled receptor SALPR | G-protein coupled receptor GPCR135 | GPCR135 | RL3R1_HUMAN | RLN3 receptor 1 | RLN3R1 | RXFP3 | Relaxin family peptide receptor 3 | SALPR | Somatostatin- and angiotensin-like peptide receptor
Type:
PROTEIN
Mol. Mass.:
51139.41
Organism:
Homo sapiens (Human)
Description:
ChEMBL_818423
Residue:
469
Sequence:
MQMADAATIATMNKAAGGDKLAELFSLVPDLLEAANTSGNASLQLPDLWWELGLELPDGAPPGHPPGSGGAESADTEARVRILISVVYWVVCALGLAGNLLVLYLMKSMQGWRKSSINLFVTNLALTDFQFVLTLPFWAVENALDFKWPFGKAMCKIVSMVTSMNMYASVFFLTAMSVTRYHSVASALKSHRTRGHGRGDCCGRSLGDSCCFSAKALCVWIWALAALASLPSAIFSTTVKVMGEELCLVRFPDKLLGRDRQFWLGLYHSQKVLLGFVLPLGIIILCYLLLVRFIADRRAAGTKGGAAVAGGRPTGASARRLSKVTKSVTIVVLSFFLCWLPNQALTTWSILIKFNAVPFSQEYFLCQVYAFPVSVCLAHSNSCLNPVLYCLVRREFRKALKSLLWRIASPSITSMRPFTATTKPEHEDQGLQAPAPPHAAAEPDLLYYPPGVVVYSGGRYDLLPSSSAY
  
Inhibitor
Name:
BDBM50382993
Synonyms:
CHEMBL2030702
Type:
Small organic molecule
Emp. Form.:
C154H239N45O44S4
Mol. Mass.:
3553.081
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:222.226,85.87,105.107,117.120,124.127,140.143,148.151,155.158,70.72,47.47,38.38,23.23,8.8,2.2,196.200,182.186,178.206,wD:167.172,173.209,216.220,233.237,76.78,96.98,116.119,135.138,147.150,61.63,32.32,17.17,4.3,190.194,166.170,(25.92,-18.94,;25.92,-17.4,;27.27,-16.63,;28.6,-17.41,;27.27,-15.09,;25.94,-14.32,;24.6,-15.09,;24.59,-16.63,;23.27,-14.31,;23.27,-12.77,;24.61,-12,;24.62,-10.46,;23.29,-9.69,;25.95,-9.7,;21.93,-15.07,;20.6,-14.3,;20.61,-12.76,;19.27,-15.06,;19.26,-16.6,;20.6,-17.38,;17.93,-14.29,;16.6,-15.05,;16.59,-16.6,;15.27,-14.27,;15.27,-12.73,;16.61,-11.97,;16.61,-10.43,;17.95,-9.67,;17.96,-8.13,;13.93,-15.04,;12.6,-14.27,;12.6,-12.73,;11.26,-15.03,;11.26,-16.57,;12.59,-17.35,;9.93,-14.26,;8.6,-15.03,;8.59,-16.57,;7.26,-14.25,;7.27,-12.71,;5.92,-15.01,;4.6,-14.24,;4.6,-12.7,;3.26,-15,;1.93,-14.23,;.59,-14.99,;.59,-16.54,;-.74,-14.22,;-.74,-12.68,;.6,-11.91,;2,-12.54,;3.02,-11.4,;2.26,-10.07,;2.75,-8.61,;1.72,-7.46,;.21,-7.78,;-.26,-9.24,;.77,-10.38,;-2.07,-14.98,;-3.41,-14.21,;-3.4,-12.67,;-4.75,-14.98,;-4.75,-16.52,;-3.42,-17.29,;-3.42,-18.83,;-2.09,-19.61,;-2.1,-21.15,;-6.08,-14.2,;-7.41,-14.96,;-7.42,-16.5,;-8.75,-14.19,;-10.08,-14.95,;-8.74,-12.65,;-7.4,-11.89,;-7.34,-5.74,;-8.22,-4.3,;-8.22,-2.34,;-9.55,-3.12,;-6.88,-3.11,;-6.88,-4.66,;-5.55,-2.35,;-4.22,-3.12,;-2.89,-2.35,;-2.89,-.82,;-1.54,-3.12,;-.21,-2.35,;-.21,-.82,;1.12,-.04,;1.12,1.49,;2.46,2.26,;2.46,3.8,;1.12,4.57,;3.79,4.57,;1.12,-3.13,;1.12,-4.67,;2.46,-2.36,;3.79,-3.13,;3.79,-4.67,;5.12,-5.44,;5.12,-6.99,;3.78,-7.76,;6.44,-7.75,;5.12,-2.36,;5.12,-.82,;6.45,-3.13,;7.78,-2.37,;7.78,-.83,;9.12,-.06,;10.46,-.83,;11.79,-.06,;11.79,1.48,;10.45,2.25,;9.12,1.48,;9.12,-3.14,;9.12,-4.68,;10.45,-2.37,;11.79,-3.14,;11.79,-4.68,;13.12,-5.45,;10.45,-5.45,;10.45,-6.99,;13.12,-2.37,;13.12,-.83,;14.46,-3.15,;15.79,-2.37,;15.79,-.84,;17.12,-.07,;17.12,1.47,;18.46,2.24,;18.46,3.78,;17.13,4.54,;19.8,4.55,;17.12,-3.14,;17.12,-4.69,;18.45,-2.38,;19.79,-3.15,;19.79,-4.7,;21.12,-2.38,;21.12,-.85,;22.46,-3.15,;23.79,-2.38,;23.79,-.85,;25.12,-.07,;22.46,-.08,;25.12,-3.16,;25.12,-4.7,;26.46,-2.39,;27.8,-3.16,;27.8,-4.7,;29.12,-5.47,;26.46,-5.47,;26.46,-7.01,;29.12,-2.39,;29.12,-.85,;30.46,-3.16,;31.8,-2.4,;31.8,-.86,;33.13,-.09,;34.46,-.86,;35.8,-.09,;35.8,1.44,;34.47,2.22,;33.14,1.45,;33.13,-3.17,;33.13,-4.71,;34.46,-2.4,;35.8,-3.17,;35.8,-4.71,;34.46,-5.48,;37.13,-5.49,;37.13,-2.4,;37.13,-.86,;38.47,-3.18,;39.8,-2.4,;39.78,-3.94,;39.01,-5.26,;42.49,-12.28,;43.26,-13.62,;43.27,-15.15,;41.94,-14.38,;40.61,-15.14,;40.61,-16.68,;39.28,-14.37,;39.27,-12.83,;38.5,-11.48,;36.96,-11.49,;39.27,-10.14,;37.94,-15.14,;36.61,-14.36,;36.61,-12.82,;35.27,-15.12,;35.26,-16.66,;36.59,-17.44,;33.95,-14.35,;32.6,-15.11,;32.6,-16.65,;31.27,-14.34,;31.28,-12.8,;32.62,-12.03,;29.94,-15.11,;28.6,-14.33,;28.61,-12.79,;44.62,-14.39,;45.95,-15.16,;44.62,-12.84,;41.13,-3.17,;41.13,-4.72,;42.47,-2.41,;43.81,-3.18,;45.13,-2.41,;45.13,-.88,;46.47,-3.18,;47.8,-2.41,;49.14,-3.19,;49.14,-4.73,;50.47,-2.42,;51.81,-3.19,;51.81,-4.73,;53.14,-5.5,;53.14,-2.42,;53.14,-.88,;54.47,-3.19,;55.81,-2.43,;55.81,-.89,;57.14,-.12,;57.14,1.42,;58.48,2.19,;58.48,3.73,;57.15,4.5,;59.81,4.5,;57.14,-3.2,;57.14,-4.75,;58.47,-2.43,;59.81,-3.2,;59.81,-4.74,;61.14,-5.52,;62.54,-4.89,;63.58,-6.04,;62.81,-7.37,;63.27,-8.83,;62.24,-9.97,;60.74,-9.65,;60.26,-8.19,;61.3,-7.05,;61.14,-2.43,;62.48,-3.21,;61.14,-.9,)|
Structure:
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