Reaction Details Report a problem with these data
Target
Ephrin type-B receptor 2
Ligand
BDBM50242409
Substrate
n/a
Meas. Tech.
ChEMBL_534495 (CHEMBL981909)
Kd
3000±n/a nM
Citation
 Chrencik, JE; Brooun, A; Recht, MI; Nicola, G; Davis, LK; Abagyan, R; Widmer, H; Pasquale, EB; Kuhn, P Three-dimensional structure of the EphB2 receptor in complex with an antagonistic peptide reveals a novel mode of inhibition. J Biol Chem 282:36505-13 (2007) [PubMed]  Article 
Target
Name:
Ephrin type-B receptor 2
Synonyms:
DRT | Developmentally-regulated Eph-related tyrosine kinase | ELK-related tyrosine kinase | EPH tyrosine kinase 3 | EPH-like kinase 5 | EPHB2 | EPHB2_HUMAN | EPHT3 | EPTH3 | ERK | Ephrin receptor | HEK5 | TYRO5
Type:
PROTEIN
Mol. Mass.:
117491.44
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1476221
Residue:
1055
Sequence:
MALRRLGAALLLLPLLAAVEETLMDSTTATAELGWMVHPPSGWEEVSGYDENMNTIRTYQVCNVFESSQNNWLRTKFIRRRGAHRIHVEMKFSVRDCSSIPSVPGSCKETFNLYYYEADFDSATKTFPNWMENPWVKVDTIAADESFSQVDLGGRVMKINTEVRSFGPVSRSGFYLAFQDYGGCMSLIAVRVFYRKCPRIIQNGAIFQETLSGAESTSLVAARGSCIANAEEVDVPIKLYCNGDGEWLVPIGRCMCKAGFEAVENGTVCRGCPSGTFKANQGDEACTHCPINSRTTSEGATNCVCRNGYYRADLDPLDMPCTTIPSAPQAVISSVNETSLMLEWTPPRDSGGREDLVYNIICKSCGSGRGACTRCGDNVQYAPRQLGLTEPRIYISDLLAHTQYTFEIQAVNGVTDQSPFSPQFASVNITTNQAAPSAVSIMHQVSRTVDSITLSWSQPDQPNGVILDYELQYYEKELSEYNATAIKSPTNTVTVQGLKAGAIYVFQVRARTVAGYGRYSGKMYFQTMTEAEYQTSIQEKLPLIIGSSAAGLVFLIAVVVIAIVCNRRGFERADSEYTDKLQHYTSGHMTPGMKIYIDPFTYEDPNEAVREFAKEIDISCVKIEQVIGAGEFGEVCSGHLKLPGKREIFVAIKTLKSGYTEKQRRDFLSEASIMGQFDHPNVIHLEGVVTKSTPVMIITEFMENGSLDSFLRQNDGQFTVIQLVGMLRGIAAGMKYLADMNYVHRDLAARNILVNSNLVCKVSDFGLSRFLEDDTSDPTYTSALGGKIPIRWTAPEAIQYRKFTSASDVWSYGIVMWEVMSYGERPYWDMTNQDVINAIEQDYRLPPPMDCPSALHQLMLDCWQKDRNHRPKFGQIVNTLDKMIRNPNSLKAMAPLSSGINLPLLDRTIPDYTSFNTVDEWLEAIKMGQYKESFANAGFTSFDVVSQMMMEDILRVGVTLAGHQKKILNSIQVMRAQMNQIQSVEGQPLARRPRATGRTKRCQPRDVTKKTCNSNDGKKKGMGKKKTDPGRGREIQGIFFKEDSHKESNDCSCGG
  
Inhibitor
Name:
BDBM50242409
Synonyms:
CHEMBL526325 | SNEWILPRLPQH
Type:
Small organic molecule
Emp. Form.:
C68H104N20O18
Mol. Mass.:
1489.6766
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:39.41,22.29,4.4,46.47,57.60,61.63,83.87,96.99,wD:31.37,8.20,2.2,72.74,87.90,(1.44,-23.28,;2.63,-24.25,;4.08,-23.7,;4.32,-22.19,;5.26,-24.69,;5.02,-26.21,;3.58,-26.74,;2.38,-25.77,;3.33,-28.26,;4.52,-29.24,;5.96,-28.69,;6.37,-27.21,;7.9,-27.14,;8.45,-28.58,;9.89,-29.14,;10.12,-30.65,;8.91,-31.61,;7.48,-31.06,;7.24,-29.54,;1.88,-28.81,;1.92,-30.55,;3.08,-31.2,;.55,-31.25,;-.74,-30.39,;-.64,-28.86,;-1.93,-28,;-3.3,-28.7,;-1.84,-26.46,;.46,-32.78,;-.92,-33.47,;-2.2,-32.61,;-1.02,-35,;.27,-35.85,;1.64,-35.17,;1.74,-33.63,;2.92,-36.02,;-2.39,-35.69,;-2.48,-37.22,;-1.2,-38.07,;-3.87,-37.92,;-3.95,-39.45,;-5.16,-37.06,;-6.53,-37.75,;6.71,-24.14,;7.91,-25.11,;6.95,-22.62,;8.39,-22.07,;8.64,-20.55,;7.45,-19.58,;7.7,-18.06,;6.02,-20.13,;9.58,-23.05,;9.34,-24.57,;11.03,-22.51,;11.59,-20.92,;13.27,-20.97,;13.74,-22.57,;12.35,-23.23,;12.29,-24.77,;10.93,-25.5,;13.59,-25.58,;14.99,-24.94,;15.07,-23.4,;16.45,-22.7,;16.51,-21.15,;17.88,-20.45,;17.96,-18.92,;16.67,-18.08,;19.34,-18.22,;16.26,-25.82,;16.11,-27.36,;17.66,-25.19,;18.91,-26.08,;18.87,-27.62,;20.17,-28.43,;20.13,-29.97,;21.53,-27.7,;20.31,-25.44,;21.56,-26.33,;20.45,-23.91,;19.28,-22.7,;20.06,-21.21,;21.71,-21.49,;21.69,-23.03,;23.03,-23.76,;23.08,-25.3,;24.35,-22.95,;25.7,-23.68,;25.75,-25.21,;27.12,-25.95,;27.15,-27.47,;25.86,-28.26,;28.52,-28.21,;27.03,-22.87,;26.98,-21.32,;28.36,-23.59,;29.7,-22.77,;29.64,-21.22,;30.94,-20.43,;32.36,-20.98,;33.34,-19.81,;32.53,-18.5,;31.04,-18.87,;31.03,-23.49,;32.36,-22.68,;31.07,-25.02,)|
Structure:
Search PDB for entries with ligand similarity: