BioLiP

PDB

BioLiP

PDB CCD ID:

CLV

Number of entries in BioLiP:

Chemical formula:

C7 H11 N3 O3

InChI:

InChI=1S/C7H11N3O3/c1-4(8)7-9-2-5(11)10(7)3-6(12)13/h2,4,7H,3,8H2,1H3,(H,12,13)/t4-,7-/m0/s1

InChIKey:

BWZRMBUNAOJHOY-FFWSUHOLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C1N=CC(=O)N1CC(=O)O)N
CACTVS 3.341	C[CH](N)[CH]1N=CC(=O)N1CC(O)=O
CACTVS 3.341	C[C@H](N)[C@H]1N=CC(=O)N1CC(O)=O
OpenEye OEToolkits 1.5.0	C[C@@H](C1N=CC(=O)N1CC(=O)O)N
ACDLabs 10.04	O=C1C=NC(N1CC(=O)O)C(N)C

Name:

{(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID;
CHROMOPHORE (ALA-PHE-GLY)

ZINC:

ZINC000103536738

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).