Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Benzamil
Molecular formula	C13H14ClN7O
IUPAC name	3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide
Molecular weight	319.753
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.7
Synonyms	Bio1_000361 BRD-K97688263-001-02-9 CCG-204306 GTPL4145 KBio2_000300 Lopac-B-2417 NCGC00015147-04 NCGC00162093-03 Pyrazinecarboxamide, 3,5-diamino-6-chloro-N-(imino((phenylmethyl)amino)methyl)- 3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide Bio2_000300 BSPBio_001580 CHEMBL212579 HMS1989O22 KBio3_000599 N-(benzylamidino)-3,5-diamino-6-chloropyrazinecarboxamide NCGC00015147-07 NSC_108107 2-Pyrazinecarboxamide, 3,5-diamino-N-[(1E)-amino[(phenylmethyl)amino]methylene]-6-chloro-, monohydrochloride SPBio_002614 BDBM81819 BRD-K87158025-001-01-6 CAS-2898-76-2 DTXSID90183179 IDI1_034050 KBioGR_000300 NCGC00015147-02 NCGC00162093-01 Prestwick2_000657 3,5-diamino-6-chloro-N-{amino[(phenyl-methyl)amino]-methylene}pyrazinecarboxamide ZINC13548421 Bio1_000850 BRD-K97688263-003-04-1 CHEBI:34558 HMS1361O22 KBio2_002868 Lopac0_000211 NCGC00015147-05 NCGC00162093-04 (NE)-3,5-diamino-N-[amino-(benzylamino)methylene]-6-chloro-pyrazine-2-carboxamide SCHEMBL412783 3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide. Bio2_000780 BSPBio_003465 D02ACL HMS2090F10 KBio3_000600 N-(N-Benzylamidino)-3,5-diamino-6-chloropyrazine carboxamide NCGC00015147-08 Prestwick0_000657 2898-76-2 Spectrum3_001823 AC1L33CQ BRD-K87158025-003-01-2 CAS_1937-37-7 GNF-Pf-192 KBio1_001001 KBioSS_000300 NCGC00015147-03 NCGC00162093-02 Prestwick3_000657 3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloro-pyrazine-2-carboxamide Bio1_001339 BSPBio_000693 HMS1791O22 KBio2_005436 LS-184230 NCGC00015147-06 NINDS_001001 04659UUJ94 SMP1_000301 3,5-Diamino-N-(N-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide AKOS027382092 BPBio1_000763 C13751 DivK1c_001001 IDI1_001001 KBio3_002969 NCGC00015147-01 NCGC00015147-09 Prestwick1_000657 3,5-Diamino-6-chloro-N-(imino((phenylmethyl)amino)methyl)pyrazinecarboxamide UNII-04659UUJ94 [ Show all ]
Inchi Key	KXDROGADUISDGY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)
PubChem CID	108107
ChEMBL	CHEMBL212579
IUPHAR	N/A
BindingDB	81819
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
180388	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
180385	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
556199	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
180380	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
180397	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
180381	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
180394	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
180383	Alpha-2C adrenergic receptor	P22086	Adra2c	Rattus norvegicus (Rat)	458
180379	Beta-1 adrenergic receptor	P18090	Adrb1	Rattus norvegicus (Rat)	466
180395	Cysteinyl leukotriene receptor 1	Q2NNR5	CYSLTR1	Cavia porcellus (Guinea pig)	340
180387	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
180390	D(1A) dopamine receptor	P18901	Drd1	Rattus norvegicus (Rat)	446
556198	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
180392	Delta-type opioid receptor	P33533	Oprd1	Rattus norvegicus (Rat)	372
180396	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452
180393	Histamine H1 receptor	P31390	Hrh1	Rattus norvegicus (Rat)	486
180384	Kappa-type opioid receptor	P34975	Oprk1	Rattus norvegicus (Rat)	380
180391	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
180386	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
180382	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

zhanglab

zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417