BioLiP

PDB

BioLiP

PDB CCD ID:

MFV

Number of entries in BioLiP:

Chemical formula:

C16 H19 N3 O5

InChI:

InChI=1S/C16H19N3O5/c1-8-5-10(3-4-12(8)21)6-11-16(24)19(7-13(22)23)15(18-11)14(17)9(2)20/h3-6,9,14,20-21H,7,17H2,1-2H3,(H,22,23)/b11-6-/t9-,14+/m1/s1

InChIKey:

ZMLILWZLIXQOMW-WOKDAPTFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(C)c2)C(=O)N1CC(O)=O
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1O)C=C2C(=O)N(C(=N2)C(C(C)O)N)CC(=O)O
CACTVS 3.385	C[C@@H](O)[C@H](N)C1=N\C(=C/c2ccc(O)c(C)c2)C(=O)N1CC(O)=O
ACDLabs 12.01	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=C\c2cc(C)c(cc2)O
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H]([C@@H](C)O)N)CC(=O)O

Name:

{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)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).