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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03379517

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3ON(3R)-3-HYDROXY-8'-APOCAROTENOLA,B,C,D2BIW0.92
JB1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2R,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol		A2ZXM0.73
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE		A,B1M980.73
V2H(1S,3R,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraene-1,3-diol		A,B3DL90.76
RPARHODOPINAL GLUCOSIDEA,B,C,D,E,F1IJD0.71
HCR7-HYDROXYCHOLESTEROLA1ZHT0.71
REARETINOIC ACIDA1CBS0.71
REARETINOIC ACIDA,B1EPB0.71
REARETINOIC ACIDA,D1K740.71
REARETINOIC ACIDA,D3E000.71
REARETINOIC ACIDA3LBD0.71
REARETINOIC ACIDA,B,C,D,E,F,
G,H		1XLS0.71
REARETINOIC ACIDA,B,C,D,E,F,
G,H		2ACL0.71
REARETINOIC ACIDA,B,C,D3FAL0.71
REARETINOIC ACIDA,D,U,X1FM60.71
REARETINOIC ACIDE,F1RLB0.71
REARETINOIC ACIDA,D3DZU0.71
REARETINOIC ACIDA3CWK0.71
REARETINOIC ACIDA,B2NNH0.71
REARETINOIC ACIDA,B2VE30.71
REARETINOIC ACIDA1N4H0.71
REARETINOIC ACIDA2FR30.71
REARETINOIC ACIDB,C1G5Y0.71
REARETINOIC ACIDA2LBD0.71
REARETINOIC ACIDA,B,E,F1XDK0.71
REARETINOIC ACIDA,D1FM90.71
REARETINOIC ACIDA1FEM0.71
REARETINOIC ACIDA,D3DZY0.71
REARETINOIC ACIDA,B1TYR0.71
REARETINOIC ACIDA2G780.71
REARETINOIC ACIDA1GX90.71
REARETINOIC ACIDA,B,C,D3FC60.71
REARETINOIC ACIDA,B1CBR0.71
REARETINOIC ACIDA,B1FBY0.71
REARETINOIC ACIDA,B1XIU0.71
AXTASTAXANTHINA,B1GKA0.71
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,B1J780.72
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,D1MZ90.72
EB1SEOCALCITOLA1S0Z0.79
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE80.7
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HAR0.73
VD5(1R,3R,7E,17E)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol		A2O4R0.76
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)		A2HCD0.72
XE41,3-CYCLOHEXANEDIOL, 4-METHYLENE-
5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-
1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-
7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-
, (1R,3S,5Z)		A2HBH0.73
LUX(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-
DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-
OCTADECAHYDRO-BETA,BETA-CAROTENE-
3,3'-DIOL		A,B,C2BHW0.83
OXR4-OXORETINOLA,B1X8L0.75
TX5(1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-
1-((S)-6-HYDROXY-6-METHYLHEPT-4-
YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-
YLIDENE)ETHYLIDENE)CYCLOHEXANE-
1,3-DIOL		A1TXI0.73
VD15-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-
OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-
2-METHYLENE-CYCLOHEXANE-1,3-DIOL		A1RKG0.75
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.73
RTLRETINOLA1IIU0.82
RTLRETINOLA1KT70.82
RTLRETINOLA1KT30.82
RTLRETINOLA1KT50.82
RTLRETINOLA1CRB0.82
RTLRETINOLA1HBP0.82
RTLRETINOLA1EII0.82
RTLRETINOLA1KT60.82
RTLRETINOLA1BRP0.82
RTLRETINOLE,F1QAB0.82
RTLRETINOLE,F3BSZ0.82
RTLRETINOLA,B1FML0.82
RTLRETINOLA1KT40.82
RTLRETINOLA1RBP0.82
RTLRETINOLA1KGL0.82
RTLRETINOLA1MX80.82
RTLRETINOLA,B1FMJ0.82
RTLRETINOLB1FBM0.82
RTLRETINOLA1KQW0.82
RTLRETINOLA2RCT0.82
RTLRETINOLA1AQB0.82
RTLRETINOLA1GX80.82
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL		A2GJ50.71
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL		A,B3C6G0.71
JC1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2S,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol		A2ZXN0.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZBZ0.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RK30.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1DB10.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE90.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2HC40.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZLC0.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A3CV90.74
LUT(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-
BETA,BETA-CAROTENE-3,3'-DIOL		A,B,C,D,E,F,
G,H,I,J		1RWT0.84
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL		A1RKH0.71
MC9CALCIPOTRIOLA1S190.75
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol		A,B3CZH0.73
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.74
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3		A2HB80.74
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RJK0.74
NEXA,B,C,D,E,F,
G,H,I,J		1RWT0.71
NEXA,B,C2BHW0.71
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol		A2O4J0.76
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HB70.73