BioLiP

PDB

BioLiP

PDB CCD ID:

MP8

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1

InChIKey:

KKJQZEWNZXRJFG-UHNVWZDZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C[C@@H]1C[C@H](NC1)C(=O)O
OpenEye OEToolkits 1.7.0	CC1CC(NC1)C(=O)O
ACDLabs 12.01	O=C(O)C1NCC(C)C1
CACTVS 3.370	C[CH]1CN[CH](C1)C(O)=O
CACTVS 3.370	C[C@H]1CN[C@@H](C1)C(O)=O

Name:

(4R)-4-methyl-L-proline

ZINC:

ZINC000001605762

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).