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BioLiP

PDB CCD ID: DP0
Number of entries in BioLiP: 2
Chemical formula: C21 H29 N3 O
InChI: InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)/t21-/m0/s1
InChIKey: UVTNFZQICZKOEM-NRFANRHFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)N(CCC(c1ccccc1)(c2ccccn2)C(=O)N)C(C)C
CACTVS 3.370CC(C)N(CC[C@](C(N)=O)(c1ccccc1)c2ccccn2)C(C)C
OpenEye OEToolkits 1.7.0CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C
ACDLabs 12.01O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C
CACTVS 3.370CC(C)N(CC[C](C(N)=O)(c1ccccc1)c2ccccn2)C(C)C
Name:Disopyramide;
(2S)-4-(dipropan-2-ylamino)-2-phenyl-2-(pyridin-2-yl)butanamide
ChEMBL: CHEMBL8821
ZINC: ZINC000001530618
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).
  • 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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