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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01135984

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SLD(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-
2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-
4-en-1-yl]-3-(4-methyl-2,6-dioxo-
1,6-dihydropyrimidin-5(2H)-ylidene)propanamide		0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		3CXC0.72
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE		A1NHX0.7
8883-(1,1-dioxido-4H-1,2,4-benzothiadiazin-
3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-
2(1H)-one		A,B2FVC0.7
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE		A,B3E7T0.71
AZQAZAPROPAZONEA2BXK0.7
AZQAZAPROPAZONEA2BXI0.7
AZQAZAPROPAZONEA,B2BX80.7
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.71
NAZN~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-
2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-
OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-
2-YL)METHYL]-BETA-ALANINAMIDE		A,B1X260.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.7
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.71
DHFDIHYDROFOLIC ACIDA1LCB0.71
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.71
DHFDIHYDROFOLIC ACIDA2RK10.71
DHFDIHYDROFOLIC ACIDA1RF70.71
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.71
DHFDIHYDROFOLIC ACIDA1TYS0.71
C523-(2-aminoquinazolin-6-yl)-4-methyl-
1-[3-(trifluoromethyl)phenyl]pyridin-
2(1H)-one		A,B3CPC0.7
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.78
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide		A3FKT0.79
1A25-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-
1-YLCARBONYL)PICOLINONITRILE		A,B3E6T0.81
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE		A2HVC0.73
7MP7-AMINO-1-METHYL-3-(2-METHYL-5-
{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-
2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-
1-IUM		A,B2HIW0.72
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.77
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.73
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.73
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.75
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.78
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2IKO0.7
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2G240.7
529(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-
3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-
1-YL)PHENYL]PROPANAMIDE		A,C,D2BPM0.71
TFI2-[5-METHANESULFONYLAMINO-2-(4-
AMINOPHENYL)-6-OXO-1,6-DIHYDRO-
1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-
1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE		A1EAT0.71
RBFRIBOFLAVINEB,D,F,H2FL50.71
RBFRIBOFLAVINEA2CC80.71
RBFRIBOFLAVINEA,B1PKV0.71
RBFRIBOFLAVINEA,B1T6Z0.71
RBFRIBOFLAVINEA2VX90.71
RBFRIBOFLAVINEA,B,C,D,E1KYV0.71
RBFRIBOFLAVINEA1MOG0.71
RBFRIBOFLAVINEA,B,C,D,E,F,
G,H,I,J,K,L		2VXA0.71
RBFRIBOFLAVINEA,B1L5R0.71
RBFRIBOFLAVINEA,B1HZE0.71
RBFRIBOFLAVINEA,B,C,D,E2A580.71
RBFRIBOFLAVINEA,B1BU50.71
RBFRIBOFLAVINEX,Y3F4G0.71
RBFRIBOFLAVINEA1NB90.71
RBFRIBOFLAVINEA,B1I180.71
RBFRIBOFLAVINEA3DDY0.71
RBFRIBOFLAVINEA2CCB0.71
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM		A,B1ZPH0.72
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.74
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.85
LFNLUMIFLAVINA2CCC0.79
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.73
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWJ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.71
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE		A,B,C2FDP0.7
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.82