BioLiP

PDB

BioLiP

PDB CCD ID:

A1L7U

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O5

InChI:

InChI=1S/C16H15NO5/c1-7-4-13(18)22-14-8(2)15-11(5-10(7)14)12(9(3)21-15)6-17-16(19)20/h4-5,17H,6H2,1-3H3,(H,19,20)

InChIKey:

AAEQVUGUZZPHHC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CNC(=O)O
CACTVS 3.385	Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1CNC(O)=O

Name:

(2,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-3-yl)methylcarbamic acid

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).