BioLiP

PDB

BioLiP

PDB CCD ID:

A1L97

Number of entries in BioLiP:

Chemical formula:

C16 H15 N5 O2

InChI:

InChI=1S/C16H15N5O2/c17-13(16(22)23)9-11-4-6-12(7-5-11)21-10-15(19-20-21)14-3-1-2-8-18-14/h1-8,10,13H,9,17H2,(H,22,23)/t13-/m0/s1

InChIKey:

LYZLDWFSXMDDEC-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccnc(c1)c2cn(nn2)c3ccc(cc3)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccnc(c1)c2cn(nn2)c3ccc(cc3)CC(C(=O)O)N
CACTVS 3.385	N[CH](Cc1ccc(cc1)n2cc(nn2)c3ccccn3)C(O)=O
CACTVS 3.385	N[C@@H](Cc1ccc(cc1)n2cc(nn2)c3ccccn3)C(O)=O

Name:

(2~{S})-2-azanyl-3-[4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)phenyl]propanoic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).