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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00032302

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN90.7
BA4[[(3R,4R,5S,6R)-3-(butanoylamino)-
4,5-dihydroxy-6-(hydroxymethyl)oxan-
2-ylidene]amino] N-phenylcarbamate
A3GS60.75
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.72
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE
A,B2OYM0.7
179N-[(naphthalen-2-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUT0.77
445N-[oxo(phenylamino)acetyl]-beta-
D-glucopyranosylamine
A3CUW0.76
478{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-
AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-
CARBAMIC ACID TETRAHYDRO-FURAN-
3-YL ESTER
B1HPV0.74
478{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-
AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-
CARBAMIC ACID TETRAHYDRO-FURAN-
3-YL ESTER
A,B1T7J0.74
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A2VCB0.75
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A2VVS0.75
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A,B3CQM0.75
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A2OXN0.75
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A,B2CBJ0.75
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
0,1,2,4,9,A,
B,C,F,H,I,J,
K,L,M,N,P,Q,
R,S,T,X,Y,Z
3CPW0.71
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
4,M,X,Y,Z3DLL0.71
VPU[[(3R,4R,5S,6R)-4,5-dihydroxy-6-
(hydroxymethyl)-3-(pentanoylamino)oxan-
2-ylidene]amino] N-phenylcarbamate
A3GSM0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B2IEO0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B2F800.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B3CYW0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B2F810.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B2F8G0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B1T3R0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B3D200.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B3EBZ0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B2HS20.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B1T7I0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B3D1Z0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B3BVB0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B2IDW0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B2IEN0.75
017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A,B2HS10.75
376N-[(naphthalen-1-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUU0.77
BO1N-[4-(AMINOSULFONYL)PHENYL]-BETA-
D-GLUCOPYRANOSYLAMINE
A2HL40.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.72
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.72