BioLiP

PDB

BioLiP

PDB CCD ID:

ASM

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O3

InChI:

InChI=1S/C8H10N2O3/c9-6(8(12)13)5-7(11)10-3-1-2-4-10/h1-4,6H,5,9H2,(H,12,13)/t6-/m0/s1

InChIKey:

CYQJJKDVTYUIFU-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccn(c1)C(=O)CC(C(=O)O)N
CACTVS 3.341	N[CH](CC(=O)n1cccc1)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccn(c1)C(=O)C[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](CC(=O)n1cccc1)C(O)=O
ACDLabs 10.04	O=C(n1cccc1)CC(C(=O)O)N

Name:

2-AMINO-4-OXO-4(1H-PYRROL-1-YL)BUTANOIC ACID

ZINC:

ZINC000033821207

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).