BioLiP

PDB

BioLiP

PDB CCD ID:

OHD

Number of entries in BioLiP:

Chemical formula:

C14 H14 Cl N3 O4

InChI:

InChI=1S/C14H14ClN3O4/c1-7(16)13-17-10(14(22)18(13)6-12(20)21)5-8-2-3-11(19)9(15)4-8/h2-5,7,19H,6,16H2,1H3,(H,20,21)/b10-5-/t7-/m0/s1

InChIKey:

JUGKPHPDTRUHCK-ZHNVUNHESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C1=NC(=Cc2ccc(c(c2)Cl)O)C(=O)N1CC(=O)O)N
OpenEye OEToolkits 2.0.7	C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N
ACDLabs 12.01	NC(C)C1=N/C(C(N1CC(O)=O)=O)=C\c2ccc(c(c2)Cl)O
CACTVS 3.385	C[CH](N)C1=NC(=Cc2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O
CACTVS 3.385	C[C@H](N)C1=N\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O

Name:

{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
PEPTIDE DERIVED CHROMOPHORE

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).