BioLiP

PDB

BioLiP

PDB CCD ID:

3JI

Number of entries in BioLiP:

Chemical formula:

C16 H17 N2 O4

InChI:

InChI=1S/C16H17N2O4/c19-15(8-4-7-12-5-2-1-3-6-12)17-14-11-18(22)10-9-13(14)16(20)21/h1-3,5-6,9-11,22H,4,7-8H2,(H,17,19)(H,20,21)

InChIKey:

OIKBSJUYAZAFGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O
CACTVS 3.385	OC(=O)c1cc[n](O)cc1NC(=O)CCCc2ccccc2

Name:

3-(4-PHENYLBUTANAMIDO)PYRIDINE-4-CARBOXYLIC 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).