Reaction Details Report a problem with these data
Target
Ephrin type-B receptor 2
Ligand
BDBM50242407
Substrate
n/a
Meas. Tech.
ChEMBL_534495 (CHEMBL981909)
Kd
>50000±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:
BDBM50242407
Synonyms:
CHEMBL525059 | SNQWIQPRLPQH
Type:
Small organic molecule
Emp. Form.:
C67H102N22O18
Mol. Mass.:
1503.6634
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)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:22.29,4.4,73.75,88.91,wD:39.41,31.37,8.20,2.2,46.47,58.61,62.64,84.88,97.100,(7.49,-29.46,;7.58,-30.99,;8.96,-31.68,;10.25,-30.84,;9.05,-33.23,;7.76,-34.07,;6.39,-33.38,;6.3,-31.84,;5.1,-34.23,;5.19,-35.76,;6.57,-36.45,;7.93,-35.74,;9.02,-36.83,;8.34,-38.2,;8.9,-39.64,;7.94,-40.84,;6.41,-40.61,;5.86,-39.17,;6.82,-37.97,;3.73,-33.54,;2.44,-34.37,;2.52,-35.92,;1.06,-33.69,;.97,-32.15,;2.26,-31.3,;2.17,-29.77,;.79,-29.08,;3.45,-28.92,;-.22,-34.53,;-1.6,-33.85,;-1.69,-32.3,;-2.89,-34.68,;-2.8,-36.23,;-1.42,-36.92,;-.13,-36.07,;-1.33,-38.45,;-4.27,-34,;-5.55,-34.84,;-5.46,-36.38,;-6.92,-34.15,;-7.02,-32.62,;-8.21,-34.99,;-9.59,-34.3,;10.43,-33.92,;10.52,-35.45,;11.71,-33.07,;13.09,-33.76,;13.18,-35.29,;11.89,-36.14,;11.98,-37.68,;13.36,-38.37,;10.7,-38.53,;14.37,-32.92,;14.29,-31.38,;15.76,-33.61,;16.15,-35.24,;17.82,-35.38,;18.47,-33.82,;17.14,-33.02,;17.25,-31.49,;15.97,-30.63,;18.63,-30.82,;19.91,-31.68,;19.8,-33.21,;21.07,-34.07,;20.97,-35.61,;22.24,-36.47,;22.13,-38.01,;20.75,-38.68,;23.4,-38.88,;21.3,-31.01,;21.4,-29.47,;22.57,-31.86,;23.95,-31.19,;24.07,-29.66,;25.45,-28.99,;25.56,-27.45,;26.73,-29.84,;25.23,-32.05,;26.61,-31.38,;25.12,-33.59,;23.77,-34.59,;24.29,-36.19,;25.97,-36.18,;26.2,-34.66,;27.66,-34.17,;27.97,-32.67,;28.81,-35.19,;30.28,-34.71,;30.58,-33.2,;32.04,-32.72,;32.36,-31.21,;31.2,-30.18,;33.81,-30.72,;31.42,-35.74,;31.12,-37.24,;32.89,-35.24,;34.04,-36.26,;33.73,-37.77,;34.88,-38.8,;34.73,-40.35,;36.14,-40.96,;37.16,-39.79,;36.37,-38.48,;35.5,-35.79,;36.65,-36.81,;35.81,-34.28,)|
Structure:
Search PDB for entries with ligand similarity: