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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00296884

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.71
NORCYCLOHEXYL-NORSTATINEP1CZI0.71
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.7
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.7
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.7
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.7
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.7
AHS(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-ISOBUTYL-CARBAMIC ACID		I5ER20.74
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE		A2DC80.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.72
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.74
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B3HY70.73
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B2JIH0.73
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A1R550.73
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.73
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.72
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.7
NSKN-SUCCINYL LYSINEA2P8B0.7
PAUPANTOTHENOIC ACIDA,B2F9W0.76
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.76
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.76
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.76
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,C3DV10.76
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A3EMY0.77
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A2H6T0.77
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1LS50.77
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1SME0.77
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,C1W6I0.77
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1XDH0.77
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B2QZX0.77
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A1IZE0.77
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1M430.77
UDC(2S,3S)-2-((2S,3R,4S,5R)-5-ETHANAMIDO-
3-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-4-YLOXY)-3,4-DIHYDROXY-
2-METHYLBUTANOIC ACID		A,B,C,D2Z2C0.7
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.72
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.72
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.72
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.74
C6LN-hexanoyl-L-homoserineA3DHA0.7
C6LN-hexanoyl-L-homoserineA3DHB0.7
ECQ(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-
2-ONE		A,I2Z3D0.73
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.77
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1E800.75
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1EED0.75
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I2ER00.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1AEC0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B2PRE0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1CV80.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A3C9E0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B3BCN0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1ATK0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D3BPF0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1TLO0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1QX60.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1MEG0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D2BDZ0.7
SIAO-SIALIC ACIDA,B1DBN0.7
SIAO-SIALIC ACIDA,B,C2DQY0.7
SIAO-SIALIC ACIDA,B3H720.7
SIAO-SIALIC ACIDA1N1Y0.7
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.7
SIAO-SIALIC ACIDA,B,C1YAH0.7
SIAO-SIALIC ACIDA1MWE0.7
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.7
SIAO-SIALIC ACIDA2JH70.7
SIAO-SIALIC ACIDA1F310.7
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.7
SIAO-SIALIC ACIDA1W0P0.7
SIAO-SIALIC ACIDA,B2EHI0.7
SIAO-SIALIC ACIDA2RDG0.7
SIAO-SIALIC ACIDA,B2WGC0.7
SIAO-SIALIC ACIDA,B,C1USX0.7
SIAO-SIALIC ACIDH1MCO0.7
SIAO-SIALIC ACIDA,B,C,D1W200.7
SIAO-SIALIC ACIDA,B,C,D1G1R0.7
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.7
SIAO-SIALIC ACIDA1FV20.7
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.7
SIAO-SIALIC ACIDA,B,C1QFO0.7
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.7
SIAO-SIALIC ACIDB1URL0.7
SIAO-SIALIC ACIDA,B2RFT0.7
SIAO-SIALIC ACIDB,C,I1PTO0.7
SIAO-SIALIC ACIDA2HRL0.7
SIAO-SIALIC ACIDA2R610.7
SIAO-SIALIC ACIDA2ZG30.7
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.7
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.7
SIAO-SIALIC ACIDA,B,C,D1W1X0.7
SIAO-SIALIC ACIDA,B,C,D1WW40.7
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.7
SIAO-SIALIC ACIDA2V730.7
SIAO-SIALIC ACIDA,B1JSH0.7
SIAO-SIALIC ACIDA,B,C,D1W210.7
SIAO-SIALIC ACIDA,B1JSN0.7
SIAO-SIALIC ACIDA,B,C,D1OW00.7
SIAO-SIALIC ACIDA2OSX0.7
SIAO-SIALIC ACIDA,B,C,D1G1S0.7
SIAO-SIALIC ACIDA2C4L0.7
SIAO-SIALIC ACIDA2Z8L0.7
SIAO-SIALIC ACIDA2JHD0.7
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.7
SIAO-SIALIC ACIDA1G1T0.7
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.7
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.7
SIAO-SIALIC ACID1,2,32KMB0.7
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.7
SIAO-SIALIC ACIDA,B1NSC0.7
SIAO-SIALIC ACIDA,B,C2W680.7
SIAO-SIALIC ACIDA1SE30.7
SIAO-SIALIC ACIDA,B,C1UXA0.7
SIAO-SIALIC ACIDA2QWB0.7
SIAO-SIALIC ACIDA2VU90.7
SIAO-SIALIC ACIDH,J,L1RVT0.7
SIAO-SIALIC ACIDA,B1FV30.7
SIAO-SIALIC ACIDA,B2C250.7
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.7
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.7
SIAO-SIALIC ACIDA,B2WBW0.7
SIAO-SIALIC ACIDA,B1USR0.7
SIAO-SIALIC ACIDA,B,E1KJ20.7
SIAO-SIALIC ACIDA,B,C2HRR0.7
SIAO-SIALIC ACIDA1QDD0.7
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.7
SIAO-SIALIC ACIDA,B,C,D1ZAG0.7
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.7
SIAO-SIALIC ACIDB1H7T0.7
SIAO-SIALIC ACIDA,B2DS00.7
SIAO-SIALIC ACIDA2ZG10.7
SIAO-SIALIC ACIDA,B,C2DR00.7
SIAO-SIALIC ACIDA,B,C1UXB0.7
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.7
SIAO-SIALIC ACIDA,B2RFU0.7
SIAO-SIALIC ACIDA1W0O0.7
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.7
SIAO-SIALIC ACIDA,B,C1YA40.7
SIAO-SIALIC ACIDA,B,D2CWG0.7
SIAO-SIALIC ACIDA,B,C2DQZ0.7
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.7
SIAO-SIALIC ACIDA,B,C1YA80.7
SIAO-SIALIC ACIDA2C4A0.7
SIAO-SIALIC ACIDF,G,H1CT10.7
SIAO-SIALIC ACIDA1YYN0.7
SIAO-SIALIC ACIDA,B1JSO0.7
SIAO-SIALIC ACIDA,B1WGC0.7
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.7
SIAO-SIALIC ACIDA2BF60.7
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.7
SIAO-SIALIC ACIDA2DF30.7
SIAO-SIALIC ACIDA2BAT0.7
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.7
SIAO-SIALIC ACIDA,B1JSI0.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.77
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.75
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.7
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID		A1FQ80.72
GCHGLYCOCHOLIC ACIDA2B000.72
GCHGLYCOCHOLIC ACIDA1EIO0.72
STASTATINEE1EPP0.72
STASTATINEI1XN30.72
STASTATINEA,B,I,J2FIV0.72
STASTATINEA,B,C,D1QS80.72
STASTATINEA,B2RMP0.72
STASTATINEE,I1APU0.72
STASTATINEA,I1GVU0.72
STASTATINEI3ER50.72
STASTATINEI2ER90.72
STASTATINEE,I4ER20.72
STASTATINEA,C,I,J,K2B7F0.72
STASTATINEA,B,C5HVP0.72
STASTATINEA,I1GVV0.72
STASTATINEA,I1WKR0.72
STASTATINEI5APR0.72
STASTATINEI1PSO0.72
STASTATINEI6APR0.72
STASTATINEA1FQ50.72
STASTATINEA,I3FNT0.72
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.72
STASTATINEA,B,C,D,I,J1LYB0.72
STASTATINEB1FIV0.72
STASTATINEI4APR0.72
AMK(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-
1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-
CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-
HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-
ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-
BUTYRIC ACID		A,B,C1YM40.71
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.73
DH9(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-
2-HEXYL-3-HYDROXYHEXADECANOIC ACID		A,B2PX60.7
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.71