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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02377194

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.7
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.7
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BLA0.71
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BL90.71
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A,B,C,D1J3J0.71
NCE3,6-Bis[(3-morpholinopropionamido)] acridineA,B3EM20.74
A2E(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A,B1ZGC0.79
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.71
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,B1Q830.71
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A1DL80.72
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.9
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.7
LL13-pyridin-4-yl-1H-indazoleA3DNE0.7
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL
A,B,C,D,E,F2P6G0.71
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.76
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.76
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.88
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE
A,B2G220.72
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.78
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.78
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.79
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.75
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.75
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.79
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE
A2CEK0.78
QUNQUINACRINEA,B1JQE0.77
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.74
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.9
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.78
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.78
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
2AQQUINOLIN-2-AMINEA2OHL0.74
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE
A,B,C5STD0.74
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.75
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.79
WAI4-{2-[4-(2-AMINOETHYL)PIPERAZIN-
1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-
4-METHYLPHENYL)PYRIMIDIN-2-AMINE
A1Y2F0.75
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.8
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,B1Q840.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.87
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.71
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.78
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.78
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE
A2B530.72
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine
A3CE50.77
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.85
PHN1,10-PHENANTHROLINEA1LIH0.72
PHN1,10-PHENANTHROLINEA2LIG0.72
PHN1,10-PHENANTHROLINEA,B2FU70.72
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.77
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.74
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.76
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.73
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.75
J074-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-
2-yl]amino}-N-ethylpiperidine-1-
carboxamide
A2P330.71
THATACRINEA,B2AOW0.83
THATACRINEA,B,C,D,E,F1MX10.83
THATACRINEA,B2AOX0.83
THATACRINEA1ACJ0.83
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide
A,B,C,D3EUI0.78
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.84
MB9(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-
tetrahydrospiro[beta-carboline-
3,4'-piperidine]-4-carbonitrile
A3CY20.71
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.7
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.8
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.72
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
EPJEPIBATIDINEA,B,C,D,E2BYQ0.75
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE
A,B1K2L0.71
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.72
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.83
PRLPROFLAVINH,I1BCU0.82
PRLPROFLAVINA,B,D,E1QVT0.82
PRLPROFLAVINA,B2KD40.82
PRLPROFLAVINA1QVU0.82
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
A1E(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A1ZGB0.79
880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-
4-YL]-PYRIMIDIN-2-YL}AMINE
A1PMQ0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.76
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.85
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.7
DEQDEQUALINIUMA,B,D,E1JT60.85
DEQDEQUALINIUMA,B,D,E3BR20.85
DEQDEQUALINIUMA1OYD0.85
DEQDEQUALINIUMA,B,D,E3BT90.85
DEQDEQUALINIUMA,B,D,E3BTJ0.85
DEQDEQUALINIUMA,B,D,E3BR10.85
LG13,11-DIFLUORO-6,8,13-TRIMETHYL-
8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
A,B,D1NZM0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A2GWA0.71
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A,B2GB90.71
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.72
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.72
DCUA,B1J070.82
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.71
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
A2GJB0.83
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.71
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.81
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.75
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.73
IIE1-{2-[(4-CHLOROPHENYL)AMINO]-2-
OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE
B2BQW0.71
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
A1KMS0.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.72
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM
A,B1N5R0.83