BI1

3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE

Created:	2003-12-16
Last modified:	2020-06-05

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5 entries where BI1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	20

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Chemical Component Summary
Name	3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Synonyms	RBT205 INHIBITOR
Systematic Name (OpenEye OEToolkits)	3-[1-(3-dimethylaminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
Formula	C₂₅ H₂₄ N₄ O₂
Molecular Weight	412.484
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN(C)C)C(=O)N5
SMILES	CACTVS	3.341	CN(C)CCCn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45
SMILES	OpenEye OEToolkits	1.5.0	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5
Canonical SMILES	CACTVS	3.341	CN(C)CCCn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5
InChI	InChI	1.03	InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
InChIKey	InChI	1.03	QMGUOJYZJKLOLH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03777
Name	Bisindolylmaleimide I
Groups	experimental
Synonyms	Bisindolylmaleimide I
Categories	Acids, Acyclic Anti-Inflammatory Agents Dicarboxylic Acids Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Imides Maleates Protein Kinase C, antagonists & inhibitors
CAS number	133052-90-1

Drug Targets

Name	Target Sequence	Pharmacological Action
3-phosphoinositide-dependent protein kinase 1	MARTTSQLYDAVPIQSSVVLCSCPSPSMVRTQTESSTPPGIPGGSRQGPA...	unknown
Protein kinase C iota type	MPTQRDSSTMSHTVAGGGSGDHSHQVRVKAYYRGDIMITHFEPSISFEGL...	unknown
Serine/threonine-protein kinase pim-1	MPHEPHEPLTPPFSALPDPAGAPSRRQSRQRPQLSSDSPSAFRASRSHSR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682