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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03520567

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3		A2HB80.79
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE80.75
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL		A1LHO0.86
VD15-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-
OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-
2-METHYLENE-CYCLOHEXANE-1,3-DIOL		A1RKG0.77
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		A2ZXN0.8
V2H(1S,3R,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraene-1,3-diol		A,B3DL90.76
COV(1S,3R,5Z,7E,14beta,17alpha)-17-
[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-
2-methyltetrahydrofuran-2-yl]-9,10-
secoandrosta-5,7,10-triene-1,3-
diol		A3CS40.72
LANLANOSTEROLA1W6K0.79
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.74
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.74
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.74
DOGDIGOXIGENINA1LKE0.71
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RJK0.79
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZBZ0.79
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RK30.79
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1DB10.79
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE90.79
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2HC40.79
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZLC0.79
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A3CV90.79
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
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.75
ERGERGOSTEROLA1BXM0.79
ERGERGOSTEROLA1ZHZ0.79
ERGERGOSTEROLA,B2AIB0.79
TESTESTOSTERONEA1JTV0.74
TESTESTOSTERONEA2Q7L0.74
TESTESTOSTERONEA2Q7I0.74
TESTESTOSTERONEA,B1J960.74
TESTESTOSTERONEA2Q7K0.74
TESTESTOSTERONEA,B1Q130.74
TESTESTOSTERONEH1I9J0.74
TESTESTOSTERONEA,B1AFS0.74
TESTESTOSTERONEH1VPO0.74
TESTESTOSTERONEA2Q7J0.74
TESTESTOSTERONEA,B3BUR0.74
TESTESTOSTERONEA2AM90.74
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)		A2HCD0.77
HC325-HYDROXYCHOLESTEROLA1ZHX0.82
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
TT2(1R,3R,7E,17beta)-17-{(1S,2E,5R)-
5-hydroxy-1-methyl-5-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-
2-en-1-yl}-2-methylidene-9,10-secoestra-
5,7-diene-1,3-diol		A2ZMI0.72
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.79
FUAFUSIDIC ACIDA1QCA0.73
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.73
FUAFUSIDIC ACIDA,B2VUF0.73
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
HC220-HYDROXYCHOLESTEROLA1ZHW0.82
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.73
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		A2GJ50.76
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,B3C6G0.76
MI4(1R,3R,7E,17beta)-17-{(1S,2E,5R)-
5-hydroxy-1-methyl-6-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-
2-en-1-yl}-2-methylidene-9,10-secoestra-
5,7-diene-1,3-diol		A2ZMJ0.73
CO117-[3-(3,3-DIMETHYL-OXIRANYL)-1-
METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
3-OL		A,B1P8D0.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.73
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		A2ZXM0.8
1CADESOXYCORTICOSTERONEA,B1Y9R0.71
1CADESOXYCORTICOSTERONEA,B,C2ABI0.71
1CADESOXYCORTICOSTERONEA2Q3Y0.71
1CADESOXYCORTICOSTERONEA2AA70.71
NYA(1R,3R,7E,17beta)-17-{(1R,2E,4R)-
4-hydroxy-1-methyl-4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]but-
2-en-1-yl}-2-methylidene-9,10-secoestra-
5,7-diene-1,3-diol		A2ZMH0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.74
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.71
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL		A1RKH0.76
MC9CALCIPOTRIOLA1S190.73
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,B1J780.79
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,D1MZ90.79
0CO(1S,3R,5Z,7E,14beta,17alpha,23R)-
23-(2-hydroxy-2-methylpropyl)-20,24-
epoxy-9,10-secochola-5,7,10-triene-
1,3-diol		A3CS60.72
DTXDIGITOXIGENINA1LNM0.72
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol		A,B3CZH0.75
CLRCHOLESTEROLA,B2ZXE0.82
CLRCHOLESTEROLA1N830.82
CLRCHOLESTEROLA2RH10.82
CLRCHOLESTEROLA1LRI0.82
CLRCHOLESTEROLA1ZHY0.82
CLRCHOLESTEROLA3D4S0.82
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HB70.78
AE2AETIOCHOLANOLONEA2QP40.75
AE2AETIOCHOLANOLONEA,B1YB10.75
AE2AETIOCHOLANOLONEA2QP30.75
AE2AETIOCHOLANOLONEA,B1X8J0.75
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.75
AE2AETIOCHOLANOLONEH1DBJ0.75
AE2AETIOCHOLANOLONEA1OV40.75
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL		A1LHN0.86
JN3CHENODEOXYCHOLIC ACIDA2JN30.71
EB1SEOCALCITOLA1S0Z0.74
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.79
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol		A2O4J0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.74
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.75
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.71
CHDCHOLIC ACIDA,B2PNJ0.71
CHDCHOLIC ACIDA,B1HRK0.71
CHDCHOLIC ACIDA,B2PO70.71
CHDCHOLIC ACIDA2QO60.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.71
CHDCHOLIC ACIDA2AZY0.71
CHDCHOLIC ACIDA,B,C2DQY0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.71
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.71
CHDCHOLIC ACIDA,B,C,D2QD10.71
CHDCHOLIC ACIDA2FT90.71
CHDCHOLIC ACIDA,B2HRC0.71
CHDCHOLIC ACIDA,B1TW40.71
CHDCHOLIC ACIDA,B2QD30.71
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.71
CHDCHOLIC ACIDA2RLC0.71
CHDCHOLIC ACIDA,B1ON50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.71
CHDCHOLIC ACIDA,B2QD40.71
CHDCHOLIC ACIDA2QO50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.71
CHDCHOLIC ACIDA,B2QD20.71
CHDCHOLIC ACIDA,B,C3ELZ0.71
CHDCHOLIC ACIDA,B2PO50.71
CHDCHOLIC ACIDA,B1S9Q0.71
CHDCHOLIC ACIDA,B1EE20.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.71
CHDCHOLIC ACIDA,B,C,D2HRE0.71
CHDCHOLIC ACIDA,B2QD50.71
CHDCHOLIC ACIDA,B3EM00.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.71
CHDCHOLIC ACIDA2QO40.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.75
HCR7-HYDROXYCHOLESTEROLA1ZHT0.85