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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255385

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
THATACRINEA,B2AOW0.81
THATACRINEA,B,C,D,E,F1MX10.81
THATACRINEA,B2AOX0.81
THATACRINEA1ACJ0.81
DEQDEQUALINIUMA,B,D,E1JT60.76
DEQDEQUALINIUMA,B,D,E3BR20.76
DEQDEQUALINIUMA1OYD0.76
DEQDEQUALINIUMA,B,D,E3BT90.76
DEQDEQUALINIUMA,B,D,E3BTJ0.76
DEQDEQUALINIUMA,B,D,E3BR10.76
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.71
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.72
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.73
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.75
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.8
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.73
A2E(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A,B1ZGC0.71
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.82
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.73
2146-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-
1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-
2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-
8-YLPHOSPHONIC ACID
A,B1Q6S0.77
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.72
2AQQUINOLIN-2-AMINEA2OHL0.74
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.8
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE
A2CEK0.74
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)
A2O1I0.73
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)
A,B3GSK0.73
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)
A3GSJ0.73
XR21-METHYL-9-[12-(9-METHYLPHENAZIN-
10-IUM-1-YL)-12-OXO-2,11-DIAZA-
5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-
10-IUM
A1X950.71
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
LG13,11-DIFLUORO-6,8,13-TRIMETHYL-
8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
A,B,D1NZM0.8
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.73
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.71
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.72
335[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-
YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-
2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID
A1Q6J0.72
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.72
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.72
DCUA,B1J070.81
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.71
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.77
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.8
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.75
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE
A,B,C3STD0.72
213A,B1Q6P0.72
ISQISOQUINOLINEA1GDK0.72
A1E(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A1ZGB0.71
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE
A2B0K0.72
FTL4-[(3-CYANO-BENZYL)-(3-METHYL-3H-
IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-
1-YL-BENZONITRILE
B1NL40.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.72
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.74
TZ53,8-DIAMINO-6-PHENYL-5-[6-[1-[2-
[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-
1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM
A,B1Q830.77
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.72
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I5A0.72
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.81
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide
A,B,C,D3EUI0.72
P27{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-
2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-
DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
A1Q6M0.72
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE
A,B2NLM0.72
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.73
PHN1,10-PHENANTHROLINEA1LIH0.81
PHN1,10-PHENANTHROLINEA2LIG0.81
PHN1,10-PHENANTHROLINEA,B2FU70.81
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.76
PRLPROFLAVINH,I1BCU0.81
PRLPROFLAVINA,B,D,E1QVT0.81
PRLPROFLAVINA,B2KD40.81
PRLPROFLAVINA1QVU0.81
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine
A3CE50.71
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM
A,B1N5R0.82
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE
A2B530.71
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.8
TZ43,8-DIAMINO-6-PHENYL-5-[6-[1-[2-
[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-
1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM
A,B1Q840.77
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.77
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
A2GJB0.82
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.73
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.72