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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00808361

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BA4[[(3R,4R,5S,6R)-3-(butanoylamino)-
4,5-dihydroxy-6-(hydroxymethyl)oxan-
2-ylidene]amino] N-phenylcarbamate		A3GS60.73
J12N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-
ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-BENZAMIDE		D,E,F,G,H1PZK0.71
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE		A,B,C,D,E,F2F2H0.71
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE		A2IC30.71
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE		A1BQM0.71
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE		A1BQN0.71
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE		A1HQU0.71
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE		A,B,C2GGX0.75
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE		A,B2BKT0.75
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.74
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE		A2PB10.71
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE		A1E4I0.71
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE		A1UYQ0.71
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE		A,B1E560.77
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE		A,B1H490.77
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE		A,B1E4N0.77
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A2VCB0.74
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A2VVS0.74
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A,B3CQM0.74
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A2OXN0.74
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE		A,B2CBJ0.74
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE		B2FS40.75
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE		A2BKS0.75
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.79
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid		A3CHS0.76
445N-[oxo(phenylamino)acetyl]-beta-
D-glucopyranosylamine		A3CUW0.73
GCKA,B1KGK0.73
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.72
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.7
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.71
VPU[[(3R,4R,5S,6R)-4,5-dihydroxy-6-
(hydroxymethyl)-3-(pentanoylamino)oxan-
2-ylidene]amino] N-phenylcarbamate		A3GSM0.73
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.75
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		1JQY0.76
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,H1PZI0.74
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.81
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.81
A24(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H1JR00.76
15BN-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
BETA-BENZAMIDE		D,E,F,G,H1PZJ0.73
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.73
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.73
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.73
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.73
AY1ANTIMYCIN A1C,D,E1NTK0.71
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE		A4A3H0.73
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE		A1H2J0.73
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL		A,B1QW90.7
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.71
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.71
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.71
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE		A,B2WBK0.71
JP1N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-
4-CARBOXAMIDE		A,B1ZXL0.7
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.74
J15N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
ALPHA-BENZAMIDE		D,E,F,G,H1PZJ0.73
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.72
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P		1LT60.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.72
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide		A3FYX0.77
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.73
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.77