SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C18 H15 N O4

InChI:

InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)

InChIKey:

XTKDQPFUOFAMRL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(Cc1ccccc1)c2ccc3C=C(C(O)=O)C(=O)Oc3c2
OpenEye OEToolkits 2.0.7	CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O

Name:

7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid

ChEMBL:

ZINC:

ZINC000096286386

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).