BioLiP

PDB

BioLiP

PDB CCD ID:

PYB

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O2

InChI:

InChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10)

InChIKey:

MUEOQEUSJMFYHV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)c1cc(N)cn1C
CACTVS 3.341	Cn1cc(N)cc1C(O)=O
OpenEye OEToolkits 1.5.0	Cn1cc(cc1C(=O)O)N

Name:

4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

ZINC:

ZINC000033430670

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).