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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01992481

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.82
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.82
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE		A,B1E560.74
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE		A,B1H490.74
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE		A,B1E4N0.74
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.82
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.82
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.91
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.91
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A2VCB0.72
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A2VVS0.72
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A,B3CQM0.72
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A2OXN0.72
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A,B2CBJ0.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE		A2PB10.8
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE		A1E4I0.8
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE		A1UYQ0.8
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.82
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P		1LT60.82
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE		D,E,F,G,H1LLR0.76
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE		L1KN40.72
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE		A4A3H0.79
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE		A1H2J0.79
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.81
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.81
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.81
BV31,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-
BENZOYLAMINO]-PROPYL}-PIPERAZIN-
1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-
AMINO-ETHYL]-AMINO-CARBONYLOXY)-
2-AMINO-PROPANE		D,E,F,G,H1RDP0.71
BA4[[(3R,4R,5S,6R)-3-(butanoylamino)-
4,5-dihydroxy-6-(hydroxymethyl)oxan-
2-ylidene]amino] N-phenylcarbamate		A3GS60.7
LAM4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-
(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-
(1-3)-BETA-D-GLUCOPYRANOSIDE		A1J8V0.75
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide		A3FYX0.71
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.82
BV1D,E,F,G,H1RCV0.71
BV21,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-
BENZOYLAMINO]-PROPYL}-PIPERAZIN-
1-YL)-PROPYL-AMINO]-CARBONYLOXY)-
2-AMINO-PROPANE		D,E,F,G,H1RD90.74
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.79
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL		A,B1QW90.79
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid		A3CHS0.71
A32(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H,L,
M,O,P,V,W,X,
Y,Z		1JQY0.81
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE		A,B2WBK0.8
J15N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
ALPHA-BENZAMIDE		D,E,F,G,H1PZJ0.77
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.71
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE		A,B,C,D,E,F2F2H0.77
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE		L1KN20.72
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide		A3B680.72
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.74
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE		A,B,C,D1C720.77
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.81
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.81
15BN-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
BETA-BENZAMIDE		D,E,F,G,H1PZJ0.77
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.7
1DMN-(2-MORPHOLIN-4-YL-1-MORPHOLIN-
4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-
TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-2-YLOXY)-BENZAMIDE		D,E,F,G,H1PZI0.78
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
B664-{[(1R,2S)-1,2-dihydroxy-2-methyl-
3-(4-nitrophenoxy)propyl]amino}-
2-(trifluoromethyl)benzonitrile		A3B660.71
A24(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H1JR00.8
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE		A,B,C2GGX0.81