BioLiP

PDB

BioLiP

PDB CCD ID:

UGL

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O3

InChI:

InChI=1S/C9H13N3O3/c1-6(2-3-8(13)14)11-9(15)7-4-5-10-12-7/h4-6H,2-3H2,1H3,(H,10,12)(H,11,15)(H,13,14)/t6-/m1/s1

InChIKey:

RSKBJUVHKFRVMZ-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(CCC(=O)O)NC(=O)c1cc[nH]n1
CACTVS 3.385	C[CH](CCC(O)=O)NC(=O)c1cc[nH]n1
CACTVS 3.385	C[C@H](CCC(O)=O)NC(=O)c1cc[nH]n1
OpenEye OEToolkits 2.0.7	C[C@H](CCC(=O)O)NC(=O)c1cc[nH]n1

Name:

(4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic 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).