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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02753210

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
79Z5-cyclopropyl-2-(4-fluorophenyl)-
6-[(2-hydroxyethyl)(methylsulfonyl)amino]-
N-methyl-1-benzofuran-3-carboxamide		A3FQL0.71
79Z5-cyclopropyl-2-(4-fluorophenyl)-
6-[(2-hydroxyethyl)(methylsulfonyl)amino]-
N-methyl-1-benzofuran-3-carboxamide		A,B3FQK0.71
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE		A,B2JID0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A2D550.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A1DSC0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B1A7Z0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B1OVF0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		C,D1MNV0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B,C,D1I3W0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B,C1A7Y0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B173D0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B1FJA0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A1DSD0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		B1L1V0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B,C1QFI0.72
PX1(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-
2-IMINO-4,6-DIMETHYL-3-OXO-2,3-
DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		1UNJ0.74
PX1(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-
2-IMINO-4,6-DIMETHYL-3-OXO-2,3-
DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE		A,B,C,D,E,F1UNM0.74
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.72
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.71
J88(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-
8-yl)methyl]-4-phenyl-1H-indole-
2,3-dione 3-oxime		A3G9N0.71
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID		A,B,C,D1K0Y0.7
5CN5-CYANO-FURAN-2-CARBOXYLIC ACID [5-
HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-
1-YL)-PHENYL]-AMIDE		A2I1M0.7
5CN5-CYANO-FURAN-2-CARBOXYLIC ACID [5-
HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-
1-YL)-PHENYL]-AMIDE		A2I0Y0.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.75
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.74
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
3MR(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-
3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE		A2Q150.73
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.73
VG4N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-
1H-pyrrol-1-yl)-5-propoxybenzamide		A2VIZ0.76
380(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-
N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE		H,L1W2K0.73
EMD5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-
TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-
3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-
ONE		A1IH00.71
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.71
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LEE0.74
MSI1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-
1-SULFONYL)-1H-INDOLE-2,3-DIONE		A1GFW0.7
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.72
MDCN-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-
3-CARBOXAMIDE		A1A540.81
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.81
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID		A1DVY0.71
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide		A3DLE0.74
5153-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-
CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-
L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID		A1NNY0.7
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER		A4UPJ0.75
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L		3EWF0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.74
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.74
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE		A,B2H960.71
PZD(11aS)-7,8-dimethoxy-2-naphthalen-
2-yl-1,10,11,11a-tetrahydro-5H-
pyrrolo[2,1-c][1,4]benzodiazepin-
5-one		A,B2K4L0.7
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.7
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE		A,B2BKT0.71
MXX5,8-dimethoxy-1,4-dimethylquinolin-
2(1H)-one		A,B3GAM0.72
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide		A,B,C,D3DEK0.8
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.7
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.7
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.74
J67(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-
8-yl)methyl]-4-[(E)-2-phenylethenyl]-
1H-indole-2,3-dione 3-oxime		X3G9L0.71
3712-(3,4-DIHYDROXYPHENYL)-8-(1,1-
DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-
6-METHYL-4H-CHROMEN-4-ONE		A2DUV0.72
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.7
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LF20.72
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE		A2VIP0.75
XNI(11S)-10-acetyl-11-[4-(benzyloxy)-
3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-
hexahydro-1H-dibenzo[b,e][1,4]diazepin-
1-one		A,B3CSO0.7
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.8
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.71
4266-[(Z)-AMINO(IMINO)METHYL]-N-[3-
(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE		A1OWI0.79
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.83
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.83
BN55-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2-METHYLPHENOXY]PENTANOIC ACID		A1WV10.71
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate		A,P,Q3D1F0.82
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1PH00.7
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide		A2VIV0.74
FLGFLUORESCEINYLTHIOUREIDOA,B1OCB0.73
R6GRHODAMINE 6GB2V3L0.78
1CD(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-
PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-
1(24),2,4,6,17(25),18,20-HEPTAENE-
23,26-DIONE		A2DS10.75
BIJ7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-
4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}-
2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}-
2-METHYL-2,3-DIHYDRO-1H-ISOINDOL-
1-ONE		A2JKO0.72
J72(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-
benzodioxin-8-yl)methyl]-1H-indole-
2,3-dione 3-oxime		X3G900.71
D564-(2-aminoethoxy)-N-(3-chloro-2-
ethoxy-5-piperidin-1-ylphenyl)-
3,5-dimethylbenzamide		A2VIW0.71
RHQRHODAMINE 6GA,B,D,E1JUS0.85
RHQRHODAMINE 6GA,B,D,E3BR50.85
RHQRHODAMINE 6GA,D,E3BR60.85
RHQRHODAMINE 6GA,B3D6Z0.85
RHQRHODAMINE 6GA1OY80.85
RHQRHODAMINE 6GA1T9V0.85
I25(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYLPHENYL}ACETIC ACID		H,I2V3H0.71