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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00967086

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.7
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A2O210.71
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A2O1Y0.71
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A1YSN0.71
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A1YSW0.71
737N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-
BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-
YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-
1-YL}-ACETAMIDE
A1ZTL0.73
CM6(2S)-2-[(2,1,3-BENZOTHIADIAZOL-
4-YLSULFONYL)AMINO]-2-PHENYL-N-
PYRIDIN-4-YLACETAMIDE
A2CIB0.79
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE
A,B1W220.74
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.71
ZZY1-[(2-NITROPHENYL)SULFONYL]-1H-
PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE
A2WD10.7
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.71
SBS(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE
A1IF80.74
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.71
MZ7N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-
BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE
A,B2QI50.82
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE
A1MMR0.72
PR14-HYDROXY-3-[2-OXO-3-(THIENO[3,2-
B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-
1-YLMETHYL]-BENZAMIDINE
A1F0T0.74
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.72
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.71
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.71
LS2N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-
8H-[1,3]THIAZOLO[5,4-E]INDOL-8-
YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
A1KE60.74
HM53-[(2,2-DIMETHYLPROPANOYL)AMINO]-
N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
A2NQ70.7
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.73
RDR4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-
1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-
C]PYRIDIN-2-YL]METHYL}PIPERAZIN-
2-ONE
A1NFX0.73
THZBENZOTHIAZOLEH,I,R1TBZ0.71
THZBENZOTHIAZOLEH,I,R1B5G0.71
62A2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-
1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-
2-CARBONYL)-BUTYL]-ACETAMIDE
A1ZTK0.7
BTS3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACIDA,B1SUX0.7
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.7
P5BN-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-
{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE
H,L1WUN0.7
PR2THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-
OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-
2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE
A1F0S0.82
165N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-
N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE
H,I1SB10.75
MZ5(2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-
6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-
1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-
3-METHYLBUTANAMIDE
A,B2QI30.8
U324-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDEA2BTS0.73
1074-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-
8-YLMETHYL)-AMINO]-N-PYRIDIN-2-
YL-BENZENESULFONAMIDE
A,C1FVV0.81
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE
A1IF90.72
D012-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-
1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-
OXIDE
A2D1J0.73
D76(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-
1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-
C]PYRIDIN-2-YL)CARBONYL]PIPERAZINE-
2-CARBOXAMIDE
A1V3X0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.72
RWJCYCLOPENTANECARBOXYLIC ACID [1-
(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-
BUTYL]-AMIDE
A1QCP0.76
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A2RHQ0.75
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A,B,C,D2RHS0.75
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
X3FYJ0.73
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID
A1Z3N0.71
LS44-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-
3-YLIDENE)METHYL]AMINO}-N-(1,3-
THIAZOL-2-YL)BENZENESULFONAMIDE
A1KE80.73
815THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-
(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-
2-OXO-PYRROLDIN-3-YL]-AMIDE
A1F0R0.78
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE
A1NFW0.79
6852-{2-[(3,5-dimethylphenyl)amino]pyrimidin-
4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-
4-methyl-1,3-thiazole-5-carboxamide
A3EMG0.72
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile
A3CY30.76
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.71
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.71
SBR(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE
A1IF70.74
ABB(2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-
1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-
4-HYDROXY-2-PYRROLIDINECARBOXAMIDE
A1NC60.71
AK31-(5-{2-[(1-methyl-1H-pyrazolo[4,3-
d]pyrimidin-7-yl)amino]ethyl}-1,3-
thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
A3D2I0.71
1802-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-
3-[[2-CARBONYL-5-[2-(PIPERIDIN-
4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-
PROPIONIC ACID
A,B2VC20.71
6322-(5-BENZYLAMINO-2-METHYLSULFANYL-
6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-
1-(THIAZOLE-2-CARBONYL)-BUTYL]-
ACETAMIDE
A1ZTJ0.71