MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02494640

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.78
SCQ3-bromo-5-phenyl-N-(pyrimidin-5-
ylmethyl)pyrazolo[1,5-a]pyridin-
7-amine		A2R3K0.72
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.73
CKE1-{7-cyclohexyl-6-[4-(4-methylpiperazin-
1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-
2-yl}methanamine		A2R6N0.71
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine		A2R3R0.73
TPLTRYPTOPHANOLA1EE70.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.84
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.84
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.84
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.84
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.74
LL13-pyridin-4-yl-1H-indazoleA3DNE0.78
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE		A2PE20.72
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine		A,C3EJ10.71
HYZN-[1-(3-fluorobenzyl)-1H-indazol-
5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-
4,6-diamine		A2RGP0.74
LTNL-TRYPTOPHANAMIDEA1MAU0.76
LTNL-TRYPTOPHANAMIDEA,B2QUI0.76
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.72
IZZ(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-
b]pyridazin-6-yl]amino}-3-methylbutan-
1-ol		A3F2N0.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.75
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.75
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE		P1JVP0.73
POX4-amino-6-{[1-(3-fluorobenzyl)-
1H-indazol-5-yl]amino}pyrimidine-
5-carbaldehyde O-(2-methoxyethyl)oxime		A3BEL0.7
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.73
KS11-cyclopentyl-3-(1H-pyrrolo[2,3-
b]pyridin-5-yl)-1H-pyrazolo[3,4-
d]pyrimidin-4-amine		A,B3EN40.74
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.84
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.74
QIGN-1H-indazol-5-yl-2-(6-methylpyridin-
2-yl)quinazolin-4-amine		A3GXL0.72
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.71
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.73
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine		A3CQU0.8
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.74
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.74
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.7
2MI2-METHYL-1H-INDOLEA2PIO0.75
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.75
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.72
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.82
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.83
5ZA(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-
3-(2-HYDROXYETHYL)-3,5-DIHYDRO-
4H-IMIDAZOL-4-ONE		A1OXF0.71
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline		A,C,D3F5X0.71
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline		A3EZV0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.73
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide		A,B3DK30.7
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide		A,B3DK70.7
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide		A,B3DK60.7
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.76
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.76
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine		A2R3J0.73
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW00.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2ERP0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW10.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B,D,E2E3X0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B1PWU0.71
DF1(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-
OL		A2BRN0.7
BC32-amino-7-(pyridin-3-ylmethyl)-
3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-
4-one		A,B,C3DJF0.7
3063-[5-(PIPERIDIN-1-YLMETHYL)-1H-
INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-
2(1H)-ONE		A2HY00.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.75
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.72
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.71
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE		A,C2JC60.71
DTRD-TRYPTOPHANA,B,C,D2R3C0.71
DTRD-TRYPTOPHANA1XY80.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.71
DTRD-TRYPTOPHANA2V7K0.71
DTRD-TRYPTOPHANA,D1CZQ0.71
DTRD-TRYPTOPHANA1DFY0.71
DTRD-TRYPTOPHANA1XY50.71
DTRD-TRYPTOPHANA1NXN0.71
DTRD-TRYPTOPHANA1TKF0.71
DTRD-TRYPTOPHANA1YL90.71
DTRD-TRYPTOPHANA1XXZ0.71
DTRD-TRYPTOPHANA1XY40.71
DTRD-TRYPTOPHANA,D2Q3I0.71
DTRD-TRYPTOPHANA1QFB0.71
DTRD-TRYPTOPHANA1DFZ0.71
DTRD-TRYPTOPHANA1XY90.71
DTRD-TRYPTOPHANA1XY60.71
DTRD-TRYPTOPHANA2SOC0.71
DTRD-TRYPTOPHANA2JUE0.71
DTRD-TRYPTOPHANA1SOC0.71
DTRD-TRYPTOPHANA1YL80.71
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
DTRD-TRYPTOPHANA,B2Q330.71
DTRD-TRYPTOPHANA1DG00.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2G0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2H0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2HKC0.72
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A2Q570.73
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXE0.73
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXD0.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.74
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.74
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A,B2VD50.71
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UVR0.71
BI23-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-
1-METHYLPYRROLIDINYL]ETHYL}-1H-
INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A1UU70.71
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM		A1Y8J0.72
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.72
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.73
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.73
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.73
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.73
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.73
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.73
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.73
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.73
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.73
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.73
IDZ3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLEA2C3L0.72
BIMBIS-(INDOLE)MALEIMIDE PYRIDINOPHANEA,B2OW30.7
BI43-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-
2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-
2,5-DIONE		A,B1SZM0.71
J074-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-
2-yl]amino}-N-ethylpiperidine-1-
carboxamide		A2P330.75
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.84
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.84
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.84
CRF[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETALDEHYDE		A1CV70.74
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZYB0.72
MQU7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-
7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-
DIAMINE		A,B1M7A0.7
KS51-(1-methylethyl)-3-quinolin-6-
yl-1H-pyrazolo[3,4-d]pyrimidin-
4-amine		B3EN60.72
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE		A2PVM0.7
IDN(E)-N-METHYL-N-(1-METHYL-1H-INDOL-
3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-
[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE		A,B1MFP0.71
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.72
IOPINDOLYLPROPIONIC ACIDA2OLI0.72
IOPINDOLYLPROPIONIC ACIDA,B2AY50.72
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE		A,B1AOE0.75
DFZ3-AMINO-3-BENZYL-[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE		A2BRM0.7
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.73
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.71
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.71
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.71
5MB5-METHYLBENZIMIDAZOLEA1JHM0.73
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.75
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide		A3DBC0.73
ABZ4-[4-AMINO-6-(5-CHLORO-1H-INDOL-
4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-
BENZONITRILE		A1S9G0.73
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.72
APJN~2~-1H-benzimidazol-5-yl-N~4~-
(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-
2,4-diamine		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N		3FBV0.72
INDINDOLEA1L4H0.81
INDINDOLEA,B,G1O7N0.81
INDINDOLEA185L0.81
INDINDOLEA,B1EG90.81
INDINDOLEA,B1UUV0.81
INDINDOLEA,C,E2B240.81
INDINDOLEA,B,C,D,E,F2P850.81
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.75
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine		A2R3I0.74
5SC3-((3-bromo-5-o-tolylpyrazolo[1,5-
a]pyrimidin-7-ylamino)methyl)pyridine 1-
oxide		A2R3Q0.72
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.73
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA		A2PE10.75
SCZ3-cyclopropyl-5-phenyl-N-(pyridin-
3-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine		A2R3N0.74
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.73
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.73
FYX4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-
3-YL)PYRIDINE-2-CARBONITRILE		A,B1V970.71
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE		A3HVC0.73
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.79
CT6(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-
1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-
1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-
7-AMINE		A2C680.72
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.71
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE		A2HXL0.71
CT8(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-
1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-
1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-
A]PYRIMIDIN-7-AMINE		A2C690.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2J6M0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2JIU0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2ITT0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2ITP0.72