Reaction Details Report a problem with these data
Target
Neuropilin-1
Ligand
BDBM50313494
Substrate
n/a
Meas. Tech.
ChEMBL_617636 (CHEMBL1101245)
IC50
6000±n/a nM
Citation
 Jarvis, A; Allerston, CK; Jia, H; Herzog, B; Garza-Garcia, A; Winfield, N; Ellard, K; Aqil, R; Lynch, R; Chapman, C; Hartzoulakis, B; Nally, J; Stewart, M; Cheng, L; Menon, M; Tickner, M; Djordjevic, S; Driscoll, PC; Zachary, I; Selwood, DL Small molecule inhibitors of the neuropilin-1 vascular endothelial growth factor A (VEGF-A) interaction. J Med Chem 53:2215-26 (2010) [PubMed]  Article 
Target
Name:
Neuropilin-1
Synonyms:
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1 | NRP | NRP1 | NRP1_HUMAN | Neuropilin-1 | VEGF165R
Type:
PROTEIN
Mol. Mass.:
103122.09
Organism:
Homo sapiens (Human)
Description:
ChEMBL_617636
Residue:
923
Sequence:
MERGLPLLCAVLALVLAPAGAFRNDKCGDTIKIESPGYLTSPGYPHSYHPSEKCEWLIQAPDPYQRIMINFNPHFDLEDRDCKYDYVEVFDGENENGHFRGKFCGKIAPPPVVSSGPFLFIKFVSDYETHGAGFSIRYEIFKRGPECSQNYTTPSGVIKSPGFPEKYPNSLECTYIVFVPKMSEIILEFESFDLEPDSNPPGGMFCRYDRLEIWDGFPDVGPHIGRYCGQKTPGRIRSSSGILSMVFYTDSAIAKEGFSANYSVLQSSVSEDFKCMEALGMESGEIHSDQITASSQYSTNWSAERSRLNYPENGWTPGEDSYREWIQVDLGLLRFVTAVGTQGAISKETKKKYYVKTYKIDVSSNGEDWITIKEGNKPVLFQGNTNPTDVVVAVFPKPLITRFVRIKPATWETGISMRFEVYGCKITDYPCSGMLGMVSGLISDSQITSSNQGDRNWMPENIRLVTSRSGWALPPAPHSYINEWLQIDLGEEKIVRGIIIQGGKHRENKVFMRKFKIGYSNNGSDWKMIMDDSKRKAKSFEGNNNYDTPELRTFPALSTRFIRIYPERATHGGLGLRMELLGCEVEAPTAGPTTPNGNLVDECDDDQANCHSGTGDDFQLTGGTTVLATEKPTVIDSTIQSEFPTYGFNCEFGWGSHKTFCHWEHDNHVQLKWSVLTSKTGPIQDHTGDGNFIYSQADENQKGKVARLVSPVVYSQNSAHCMTFWYHMSGSHVGTLRVKLRYQKPEEYDQLVWMAIGHQGDHWKEGRVLLHKSLKLYQVIFEGEIGKGNLGGIAVDDISINNHISQEDCAKPADLDKKNPEIKIDETGSTPGYEGEGEGDKNISRKPGNVLKTLDPILITIIAMSALGVLLGAVCGVVLYCACWHNGMSERNLSALENYNFELVDGVKLKKDKLNTQSTYSEA
  
Inhibitor
Name:
BDBM50313494
Synonyms:
(S)-2-[(3-{3-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-ylmethyl)-amino]-benzenesulfonylamino}-thiophene-2-carbonyl)-amino]-5-guanidino-pentanoic acid | CHEMBL1079082
Type:
Small organic molecule
Emp. Form.:
C23H29ClN8O5S2
Mol. Mass.:
597.11
SMILES:
[#6]-c1nn(-[#6])c(Cl)c1-[#6]-[#7]-c1cccc(c1)S(=O)(=O)[#7]-c1ccsc1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
Structure:
Search PDB for entries with ligand similarity: