BioLiP

PDB

BioLiP

PDB CCD ID:

PBG

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O4

InChI:

InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)

InChIKey:

QSHWIQZFGQKFMA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O
ACDLabs 10.04	O=C(O)CCc1c(c(nc1)CN)CC(=O)O
CACTVS 3.341	NCc1[nH]cc(CCC(O)=O)c1CC(O)=O

Name:

3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID;
2-AMINOMETHYLPYRROL-3-ACETIC ACID 4-PROPIONIC ACID;
PORPHOBILINOGEN;
5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROLE-3-PROPANOIC ACID

ChEMBL:

CHEMBL1235151

DrugBank:

DB02272

ZINC:

ZINC000000056609

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).