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: MMs02471728

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.74
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.82
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.76
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.76
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.75
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.75
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)		A2RAH0.73
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.78
2862-ethenyl-1-methylpyridiniumX2RC20.83
3AP3-AMINOPYRIDINEA1AEF0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.82
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE		A2G6P0.7
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.78
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE		B2BED0.72
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.71
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.81
INDINDOLEA1L4H0.73
INDINDOLEA,B,G1O7N0.73
INDINDOLEA185L0.73
INDINDOLEA,B1EG90.73
INDINDOLEA,B1UUV0.73
INDINDOLEA,C,E2B240.73
INDINDOLEA,B,C,D,E,F2P850.73
2AQQUINOLIN-2-AMINEA2OHL0.7
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE		P1JVP0.73
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.77
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.78
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.7
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.7
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.72
ISQISOQUINOLINEA1GDK0.81
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.73
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime		A,B3D4Q0.76
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.76
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.8
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.8
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID		A,B1T1R0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.75
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.7
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.86
PYF3-PYRIDINYLCARBINOLA,B1R160.72
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE		A,B,C,D2CKE0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.81
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE		A1RW80.7
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE		A1BL60.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.72
PYS2-PYRIDINETHIOLA,B1CTE0.71
PYS2-PYRIDINETHIOLA2IPP0.71
PY7PYRIDIN-4-YLMETHANOLA2EUR0.73
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
RW14-phenylpyrimidineA,B,C3B9S0.78
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.72
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.72
PRLPROFLAVINH,I1BCU0.72
PRLPROFLAVINA,B,D,E1QVT0.72
PRLPROFLAVINA,B2KD40.72
PRLPROFLAVINA1QVU0.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.8
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.72
1SQISOQUINOLIN-1-AMINEA2OHK0.76
MILMILRINONEA,B1TLM0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.88
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.88
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.75
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.75
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine		A3CFL0.76
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE		A1VJY0.73
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.7
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE		A2OHR0.75
MOJ(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-
3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-
5(6H)-one oxime		A3FT80.75
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.72
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine		A2RA70.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.8
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.8
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.8
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.77
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.73
4AP4-AMINOPYRIDINEA1AEG0.72
EPJEPIBATIDINEA,B,C,D,E2BYQ0.75
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.8
APY2-AMINOMETHYL-PYRIDINEI1IVP0.8
PHN1,10-PHENANTHROLINEA1LIH0.82
PHN1,10-PHENANTHROLINEA2LIG0.82
PHN1,10-PHENANTHROLINEA,B2FU70.82
3MP3-METHYLPYRIDINEA1EUB0.82
3MP3-METHYLPYRIDINEA1BM60.82
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.72
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.72
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.77
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.72
NTNISONICOTINAMIDINEA7ADH0.78
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.75
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.74
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.71
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.73
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.72
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.71
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		1UW60.85
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.85
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.85
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL		A2CGV0.72
MYTMETYRAPONEA1PHG0.77
MYTMETYRAPONEA1W0G0.77
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.86
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,C1MUE0.71
NCANICOTINAMIDEA,B2E5D0.71
NCANICOTINAMIDEA,B,C,D2Z770.71
NCANICOTINAMIDEA,B1DMA0.71
NCANICOTINAMIDEA,B1ISM0.71
NCANICOTINAMIDEA,B1YC50.71
NCANICOTINAMIDEA2ZB70.71
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.71
NCANICOTINAMIDEA,B2QQG0.71
NCANICOTINAMIDEA2OTV0.71
NCANICOTINAMIDEA2QHF0.71
NCANICOTINAMIDEA,B,C,D2C8A0.71
NCANICOTINAMIDEA,B2HJH0.71
NCANICOTINAMIDEA2A150.71
NCANICOTINAMIDEA2R6V0.71
NCANICOTINAMIDEA,B1ISI0.71
NCANICOTINAMIDEA,D,E2R9J0.71
NCANICOTINAMIDEA2H4J0.71
NCANICOTINAMIDEA,B2OD90.71
NCANICOTINAMIDEA,B,C,D,E1YC20.71
NCANICOTINAMIDEA,B3DZG0.71
NCANICOTINAMIDEA1OJU0.71
D4GA,B,C,D2FDY0.76
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.76
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.71
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE		A1IQM0.7
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.82
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.82
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.74
THATACRINEA,B2AOW0.74
THATACRINEA,B,C,D,E,F1MX10.74
THATACRINEA,B2AOX0.74
THATACRINEA1ACJ0.74
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.74
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM		A1ZE80.76
DEQDEQUALINIUMA,B,D,E1JT60.74
DEQDEQUALINIUMA,B,D,E3BR20.74
DEQDEQUALINIUMA1OYD0.74
DEQDEQUALINIUMA,B,D,E3BT90.74
DEQDEQUALINIUMA,B,D,E3BTJ0.74
DEQDEQUALINIUMA,B,D,E3BR10.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.73
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
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE		A3HVC0.75
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.74