BioLiP

PDB

BioLiP

PDB CCD ID:

I2V

Number of entries in BioLiP:

Chemical formula:

C7 H12 F N O2

InChI:

InChI=1S/C7H12FNO2/c8-3-5-1-4(7(10)11)2-6(5)9/h4-6H,1-3,9H2,(H,10,11)/t4-,5+,6-/m0/s1

InChIKey:

ZROKQRHEXPQFAI-JKUQZMGJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@@H](C[C@@H]([C@H]1CF)N)C(=O)O
ACDLabs 12.01	FCC1CC(CC1N)C(=O)O
CACTVS 3.385	N[CH]1C[CH](C[CH]1CF)C(O)=O
OpenEye OEToolkits 2.0.7	C1C(CC(C1CF)N)C(=O)O
CACTVS 3.385	N[C@H]1C[C@H](C[C@@H]1CF)C(O)=O

Name:

(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic 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).