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BioLiP Library

PDB CCD ID: 4V6
Number of entries in BioLiP: 4
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:
SoftwareSMILES
ACDLabs 12.01c2c1S(N(C(C)N(c1ccc2Cl)C)C)(=O)=O
OpenEye OEToolkits 1.9.2C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C
OpenEye OEToolkits 1.9.2CC1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C
CACTVS 3.385C[C@@H]1N(C)c2ccc(Cl)cc2[S](=O)(=O)N1C
CACTVS 3.385C[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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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