BioLiP

PDB

BioLiP

PDB CCD ID:

BP5

Number of entries in BioLiP:

Chemical formula:

C13 H13 N3 O2

InChI:

InChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1

InChIKey:

VWTQURBMIRJISI-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@@H](Cc1ccc(nc1)c2ccccn2)C(O)=O
CACTVS 3.370	N[CH](Cc1ccc(nc1)c2ccccn2)C(O)=O
ACDLabs 12.01	O=C(O)C(N)Cc2cnc(c1ncccc1)cc2
OpenEye OEToolkits 1.7.6	c1ccnc(c1)c2ccc(cn2)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6	c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N

Name:

3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE

ZINC:

ZINC000016052406

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).