BioLiP

PDB

BioLiP

PDB CCD ID:

576

Number of entries in BioLiP:

Chemical formula:

C18 H18 O3

InChI:

InChI=1S/C18H18O3/c19-15(11-18(20)21)7-5-12-6-8-17-14(9-12)10-13-3-1-2-4-16(13)17/h1-4,6,8-9,15,19H,5,7,10-11H2,(H,20,21)/t15-/m0/s1

InChIKey:

QNNGXIOOEUXOPM-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O
CACTVS 3.352	O[C@@H](CCc1ccc2c(Cc3ccccc23)c1)CC(O)=O
OpenEye OEToolkits 1.6.1	c1ccc-2c(c1)Cc3c2ccc(c3)CCC(CC(=O)O)O
ACDLabs 10.04	O=C(O)CC(O)CCc3ccc2c1ccccc1Cc2c3
CACTVS 3.352	O[CH](CCc1ccc2c(Cc3ccccc23)c1)CC(O)=O

Name:

(3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID

ZINC:

ZINC000058627012

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).