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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01582075

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE		A,B3E7T0.76
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.71
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.79
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C060.7
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C0A0.7
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.76
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.76
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.71
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.72
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE		A2A5U0.76
LTNL-TRYPTOPHANAMIDEA1MAU0.71
LTNL-TRYPTOPHANAMIDEA,B2QUI0.71
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE		A,B3E680.74
A2E(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE		A,B1ZGC0.71
MUHN-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-
2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE		A2OSC0.7
CDD2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-
2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE		B,C1MUE0.74
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.77
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE		A3HVC0.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.8
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.8
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE		A2OHR0.71
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide		A3FQE0.72
BRT5-BROMONICOTINAMIDEA,B1GXZ0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE		A2V0D0.75
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.71
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone		A,B,D,E3CH60.72
DKKN-[2-(carbamimidamidooxy)ethyl]-
2-{6-cyano-3-[(2,2-difluoro-2-pyridin-
2-ylethyl)amino]-2-fluorophenyl}acetamide		B3C270.76
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.79
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.79
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.79
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.79
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.79
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.75
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.81
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A,B2ZD10.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A2ZE20.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A,B3BGR0.71
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.71
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.76
CC3N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE		A2NP80.74
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
3AP3-AMINOPYRIDINEA1AEF0.73
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.71
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.77
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.73
INDINDOLEA1L4H0.7
INDINDOLEA,B,G1O7N0.7
INDINDOLEA185L0.7
INDINDOLEA,B1EG90.7
INDINDOLEA,B1UUV0.7
INDINDOLEA,C,E2B240.7
INDINDOLEA,B,C,D,E,F2P850.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.78
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.7
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate		A2W0B0.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.7
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.85
A1E(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE		A1ZGB0.71
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.75
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.77
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.77
CDA2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-
PYRIDINYL)METHYL]ACETAMIDE		B,C1MU60.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.74
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		1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE		A1S6Q0.71
MYTMETYRAPONEA1PHG0.72
MYTMETYRAPONEA1W0G0.72
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.76
1SQISOQUINOLIN-1-AMINEA2OHK0.72
2862-ethenyl-1-methylpyridiniumX2RC20.72
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE		A2BTR0.73
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine		A2RIP0.7
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.7
NTNISONICOTINAMIDINEA7ADH0.74
ISQISOQUINOLINEA1GDK0.74
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.73
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1X0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWE0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LW00.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HND0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1FKP0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1U0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWF0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HNY0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1VRT0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWC0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLB0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A3HVT0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLF0.7
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.7
MILMILRINONEA,B1TLM0.9
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.79
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.71
NCANICOTINAMIDEA,B2E5D0.79
NCANICOTINAMIDEA,B,C,D2Z770.79
NCANICOTINAMIDEA,B1DMA0.79
NCANICOTINAMIDEA,B1ISM0.79
NCANICOTINAMIDEA,B1YC50.79
NCANICOTINAMIDEA2ZB70.79
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.79
NCANICOTINAMIDEA,B2QQG0.79
NCANICOTINAMIDEA2OTV0.79
NCANICOTINAMIDEA2QHF0.79
NCANICOTINAMIDEA,B,C,D2C8A0.79
NCANICOTINAMIDEA,B2HJH0.79
NCANICOTINAMIDEA2A150.79
NCANICOTINAMIDEA2R6V0.79
NCANICOTINAMIDEA,B1ISI0.79
NCANICOTINAMIDEA,D,E2R9J0.79
NCANICOTINAMIDEA2H4J0.79
NCANICOTINAMIDEA,B2OD90.79
NCANICOTINAMIDEA,B,C,D,E1YC20.79
NCANICOTINAMIDEA,B3DZG0.79
NCANICOTINAMIDEA1OJU0.79
CDB2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-
METHYL-6-PYRIDINYL)METHYL]ACETAMIDE		B,C1MU80.72
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE		A2W090.73
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.74
4AP4-AMINOPYRIDINEA1AEG0.73
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA		A2PE10.73