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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02689902

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.7
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile
A3CY30.73
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE
A2CEK0.77
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE
A1NFW0.74
PHN1,10-PHENANTHROLINEA1LIH0.75
PHN1,10-PHENANTHROLINEA2LIG0.75
PHN1,10-PHENANTHROLINEA,B2FU70.75
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKG0.73
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKF0.73
815THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-
(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-
2-OXO-PYRROLDIN-3-YL]-AMIDE
A1F0R0.71
INDINDOLEA1L4H0.72
INDINDOLEA,B,G1O7N0.72
INDINDOLEA185L0.72
INDINDOLEA,B1EG90.72
INDINDOLEA,B1UUV0.72
INDINDOLEA,C,E2B240.72
INDINDOLEA,B,C,D,E,F2P850.72
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.72
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.74
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.8
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.8
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.8
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.73
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.74
THZBENZOTHIAZOLEH,I,R1TBZ0.73
THZBENZOTHIAZOLEH,I,R1B5G0.73
CK14-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-
2-AMINE
A1PXI0.72
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.71
DEQDEQUALINIUMA,B,D,E1JT60.7
DEQDEQUALINIUMA,B,D,E3BR20.7
DEQDEQUALINIUMA1OYD0.7
DEQDEQUALINIUMA,B,D,E3BT90.7
DEQDEQUALINIUMA,B,D,E3BTJ0.7
DEQDEQUALINIUMA,B,D,E3BR10.7
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.73
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.7
THATACRINEA,B2AOW0.72
THATACRINEA,B,C,D,E,F1MX10.72
THATACRINEA,B2AOX0.72
THATACRINEA1ACJ0.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.7
B97(10R)-10-methyl-3-(6-methylpyridin-
3-yl)-9,10,11,12-tetrahydro-8H-
[1,4]diazepino[5',6':4,5]thieno[3,2-
f]quinolin-8-one
X3FYJ0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.72
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.71
TOT1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-
BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-
1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM
A108D0.77
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
ISQISOQUINOLINEA1GDK0.73
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.75