BioLiP

PDB

BioLiP

PDB CCD ID:

0W6

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2

InChI:

InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey:

ABSTXSZPGHDTAF-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[C@H](N)CCC(O)=O
OpenEye OEToolkits 1.7.6	CC(CCC(=O)O)N
OpenEye OEToolkits 1.7.6	C[C@@H](CCC(=O)O)N
CACTVS 3.370	C[CH](N)CCC(O)=O
ACDLabs 12.01	O=C(O)CCC(N)C

Name:

(4S)-4-aminopentanoic acid;
(2E,4S)-4-aminopent-2-enoic acid, Bound form

ChEMBL:

CHEMBL284327

ZINC:

ZINC000003581353

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).