BioLiP

PDB

BioLiP

PDB CCD ID:

4V6

Number of entries in BioLiP:

Chemical formula:

C10 H13 Cl N2 O2 S

InChI:

InChI=1S/C10H13ClN2O2S/c1-7-12(2)9-5-4-8(11)6-10(9)16(14,15)13(7)3/h4-7H,1-3H3/t7-/m1/s1

InChIKey:

KKDTTWULFNGREK-SSDOTTSWSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2c1S(N(C(C)N(c1ccc2Cl)C)C)(=O)=O
OpenEye OEToolkits 1.9.2	C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C
OpenEye OEToolkits 1.9.2	CC1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C
CACTVS 3.385	C[C@@H]1N(C)c2ccc(Cl)cc2[S](=O)(=O)N1C
CACTVS 3.385	C[CH]1N(C)c2ccc(Cl)cc2[S](=O)(=O)N1C

Name:

(3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide;
BPAM-321

ZINC:

ZINC000263620647

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).