BioLiP

PDB

BioLiP

PDB CCD ID:

1L1

Number of entries in BioLiP:

Chemical formula:

C9 H18 N2 O4 S

InChI:

InChI=1S/C9H18N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13)(H2,10,14,15)/t8-/m1/s1

InChIKey:

LHUDYJGZVNZVTM-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N
CACTVS 3.370	N[S](=O)(=O)N[C@H](CC1CCCCC1)C(O)=O
ACDLabs 12.01	O=C(O)C(NS(=O)(=O)N)CC1CCCCC1
OpenEye OEToolkits 1.7.6	C1CCC(CC1)CC(C(=O)O)NS(=O)(=O)N
CACTVS 3.370	N[S](=O)(=O)N[CH](CC1CCCCC1)C(O)=O

Name:

3-cyclohexyl-N-sulfamoyl-D-alanine

ZINC:

ZINC000098207987

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).