2025-05-10_00000216|ligand|9F6B

Human neuropilin-1 in a complex with a quinoline based antagonists; X-ray diffraction 1.57Å

Protein #1 158 residues (98% resolved)

Raw Sequence ...

GHMFKCMEALGMESGEIHSDQITASSQYSTNWSAERSRLNYPENGWTPGEDSYREWIQVDLGLLRFVTAVGTQGAISKETKKKYYVKTYKIDVSSNGEDWITIKEGNKPVLFQGNTNPTDVVVAVFPKPLITRFVRIKPATWETGISMRFEVYGCKIT

Canonical Sequence ...

GHMFKCMEALGMESGEIHSDQITASSQYSTNWSAERSRLNYPENGWTPGEDSYREWIQVDLGLLRFVTAVGTQGAISKETKKKYYVKTYKIDVSSNGEDWITIKEGNKPVLFQGNTNPTDVVVAVFPKPLITRFVRIKPATWETGISMRFEVYGCKIT

Non polymer #2 A1IAT

InChI=1S/C27H29N7O5S2/c28-15-16-4-1-5-17(12-16)19-13-18-6-2-9-31-23(18)22(14-19)41(38,39)34-20-8-11-40-24(20)25(35)33-21(26(36)37)7-3-10-32-27(29)30/h1-2,4-6,8-9,11-14,21,34H,3,7,10,15,28H2,(H,33,35)(H,36,37)(H4,29,30,32)/t21-/m0/s1

InChI=1S/C27H29N7O5S2/c28-15-16-4-1-5-17(12-16)19-13-18-6-2-9-31-23(18)22(14-19)41(38,39)34-20-8-11-40-24(20)25(35)33-21(26(36)37)7-3-10-32-27(29)30/h1-2,4-6,8-9,11-14,21,34H,3,7,10,15,28H2,(H,33,35)(H,36,37)(H4,29,30,32)/t21-/m0/s1

SMILES: [H]/N=C(/N)NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cc(cc3c2nccc3)c4cccc(c4)CN

[H]/N=C(/N)NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cc(cc3c2nccc3)c4cccc(c4)CN

Biounit #1 homo-dimer

Reference