BioLiP

PDB

BioLiP

PDB CCD ID:

0LF

Number of entries in BioLiP:

Chemical formula:

C15 H21 N O3

InChI:

InChI=1S/C15H21NO3/c17-15(18)14-10-13(11-16-14)19-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)/t13-,14+/m1/s1

InChIKey:

ZGDRYJSZIBKFTN-KGLIPLIRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CCCCO[C@@H]2C[C@H](NC2)C(=O)O
CACTVS 3.370	OC(=O)[CH]1C[CH](CN1)OCCCCc2ccccc2
CACTVS 3.370	OC(=O)[C@@H]1C[C@H](CN1)OCCCCc2ccccc2
ACDLabs 12.01	O=C(O)C2NCC(OCCCCc1ccccc1)C2
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CCCCOC2CC(NC2)C(=O)O

Name:

(4R)-4-(4-phenylbutoxy)-L-proline

ZINC:

ZINC000098207830

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).