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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016381

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV1
AE2AETIOCHOLANOLONEA2QP40.88
AE2AETIOCHOLANOLONEA,B1YB10.88
AE2AETIOCHOLANOLONEA2QP30.88
AE2AETIOCHOLANOLONEA,B1X8J0.88
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.88
AE2AETIOCHOLANOLONEH1DBJ0.88
AE2AETIOCHOLANOLONEA1OV40.88
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.88
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.71
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL		A1LHN0.81
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI1
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT71
CHDCHOLIC ACIDA,B2PNJ1
CHDCHOLIC ACIDA,B1HRK1
CHDCHOLIC ACIDA,B2PO71
CHDCHOLIC ACIDA2QO61
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V551
CHDCHOLIC ACIDA2AZY1
CHDCHOLIC ACIDA,B,C2DQY1
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN1
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ1
CHDCHOLIC ACIDA,B,C,D2QD11
CHDCHOLIC ACIDA2FT91
CHDCHOLIC ACIDA,B2HRC1
CHDCHOLIC ACIDA,B1TW41
CHDCHOLIC ACIDA,B2QD31
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V541
CHDCHOLIC ACIDA2RLC1
CHDCHOLIC ACIDA,B1ON51
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW1
CHDCHOLIC ACIDA,B2QD41
CHDCHOLIC ACIDA2QO51
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS1
CHDCHOLIC ACIDA,B2QD21
CHDCHOLIC ACIDA,B,C3ELZ1
CHDCHOLIC ACIDA,B2PO51
CHDCHOLIC ACIDA,B1S9Q1
CHDCHOLIC ACIDA,B1EE21
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR1
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM1
CHDCHOLIC ACIDA,B,C,D2HRE1
CHDCHOLIC ACIDA,B2QD51
CHDCHOLIC ACIDA,B3EM01
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL1
CHDCHOLIC ACIDA2QO41
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK1
JN3CHENODEOXYCHOLIC ACIDA2JN31
NTHSUCCINIC ACID MONO-(13-METHYL-3-
OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
17-YL) ESTER		A,B1BUQ0.7
CI2(5BETA)-PREGNANE-3,20-DIONEA,C,D1XV90.71
CI2(5BETA)-PREGNANE-3,20-DIONEA,B3CAV0.71
FUAFUSIDIC ACIDA1QCA0.73
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.73
FUAFUSIDIC ACIDA,B2VUF0.73
SO1A1U2R0.71
SO1A1N0U0.71
SO1T2P8Y0.71
SO1T2P8Z0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.88
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.88
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.7
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL		A1LHO0.81
GCHGLYCOCHOLIC ACIDA2B000.74
GCHGLYCOCHOLIC ACIDA1EIO0.74
TESTESTOSTERONEA1JTV0.71
TESTESTOSTERONEA2Q7L0.71
TESTESTOSTERONEA2Q7I0.71
TESTESTOSTERONEA,B1J960.71
TESTESTOSTERONEA2Q7K0.71
TESTESTOSTERONEA,B1Q130.71
TESTESTOSTERONEH1I9J0.71
TESTESTOSTERONEA,B1AFS0.71
TESTESTOSTERONEH1VPO0.71
TESTESTOSTERONEA2Q7J0.71
TESTESTOSTERONEA,B3BUR0.71
TESTESTOSTERONEA2AM90.71
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.88
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.97
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.97
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.97
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.97
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.97
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.97
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.97
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.97
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.97
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.97
CAH5-EXO-HYDROXYCAMPHORA1NOO0.7
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.74
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.74
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.7
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71