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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03450918

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol		A,B2VLC0.74
5DP5-(2,5-dioxopyrrolidin-1-yl)-N-
[2-(2-{2-[(4-O-alpha-D-idopyranosyl-
alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide		A,B,C,D3CIU0.71
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE		A,B,C,D,E,F2J0G0.71
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE		A,B,C2ORJ0.71
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.7
CIS(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-
{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-
3-ENYL)TETRACOS-15-ENAMIDE		A,C2AKR0.7
CTOTRIACETYLCHITOTRIOSEA,B1BB50.73
CTOTRIACETYLCHITOTRIOSEB2H5Z0.73
CTOTRIACETYLCHITOTRIOSEA,B,C,D2R0H0.73
CTOTRIACETYLCHITOTRIOSEA,B,C2AH90.73
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A1ZT40.86
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A,C,E2PO60.86
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE		A,D,M,N,Z2F4V0.71
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE		B2F4T0.71
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.75
2G0(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-
3,4,5-trihydroxy-6-methyltetrahydro-
2H-pyran-2-yl]acetyl}amino)hexanoyl]-
N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-
2-carboxamide		A,B,C,D3DCQ0.73
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M		3EFX0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W		2O2L0.71
AB6(2R)-4-AMINO-N-((1R,2S,3R,4R,5S)-
5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-2-{2-[(3-
AMINOPROPYL)AMINO]ETHOXY}-3-HYDROXYCYCLOHEXYL)-
2-HYDROXYBUTANAMIDE		B2F4U0.73
A164-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)-
2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-
alpha-D-glucopyranosyl)-beta-D-
glucopyranose 		A,B2VR50.73
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1LJN0.74
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1ZU00.74
CBSDI(N-ACETYL-D-GLUCOSAMINE)A2HRH0.74
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B1TW50.74
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,H2HRG0.74
CBSDI(N-ACETYL-D-GLUCOSAMINE)12BS70.74
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7T0.74
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B2QT60.74
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1QBB0.74
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7S0.74
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.74
AKN(2R)-4-AMINO-N-{(1R,2S,3S,4R,5S)-
5-AMINO-2-[(3-AMINO-3-DEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-4-[(6-AMINO-
6-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-
3-HYDROXYCYCLOHEXYL}-2-HYDROXYBUTANAMIDE		A,B2G5Q0.71
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.73
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.71
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.71
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide		A,B,C3DV10.7