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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03130403

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TUDTAUROCHENODEOXYCHOLIC ACIDA2B010.75
TUDTAUROCHENODEOXYCHOLIC ACIDA2B030.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.82
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.82
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.82
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.82
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.82
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.82
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.82
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.82
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.82
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.82
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL
A1LHN0.76
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.84
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.84
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL
A1LHO0.76
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.79
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.79
UZ9(2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-
10,13-DIMETHYL-3-OXOHEXADECAHYDRO-
1H-CYCLOPENTA[A]PHENANTHREN-17-
YL]PENTANOYL}AMINO)HEXANOIC ACID
A,B1UZ90.72
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.78
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.78
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.78
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.84
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUI0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
C1O910.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU90.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B3CZR0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIX0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUN0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F,
G,H
1IRJ0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1GR30.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2OQO0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1VK50.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUP0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2OLC0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F1HV50.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIW0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUL0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU70.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B1EX40.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,D1F6A0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1XJI0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2Q3T0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1PUC0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2PU80.73
TCHTAUROCHOLIC ACIDA,B,C2DR00.75
TCHTAUROCHOLIC ACIDA,B1AQL0.75
TCHTAUROCHOLIC ACIDA2AZZ0.75
TCHTAUROCHOLIC ACIDA1O1V0.75
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.79
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.79
GCHGLYCOCHOLIC ACIDA2B000.78
GCHGLYCOCHOLIC ACIDA1EIO0.78
CHDCHOLIC ACIDA,B2PNJ0.79
CHDCHOLIC ACIDA,B1HRK0.79
CHDCHOLIC ACIDA,B2PO70.79
CHDCHOLIC ACIDA2QO60.79
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.79
CHDCHOLIC ACIDA2AZY0.79
CHDCHOLIC ACIDA,B,C2DQY0.79
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.79
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.79
CHDCHOLIC ACIDA,B,C,D2QD10.79
CHDCHOLIC ACIDA2FT90.79
CHDCHOLIC ACIDA,B2HRC0.79
CHDCHOLIC ACIDA,B1TW40.79
CHDCHOLIC ACIDA,B2QD30.79
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.79
CHDCHOLIC ACIDA2RLC0.79
CHDCHOLIC ACIDA,B1ON50.79
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.79
CHDCHOLIC ACIDA,B2QD40.79
CHDCHOLIC ACIDA2QO50.79
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.79
CHDCHOLIC ACIDA,B2QD20.79
CHDCHOLIC ACIDA,B,C3ELZ0.79
CHDCHOLIC ACIDA,B2PO50.79
CHDCHOLIC ACIDA,B1S9Q0.79
CHDCHOLIC ACIDA,B1EE20.79
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.79
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.79
CHDCHOLIC ACIDA,B,C,D2HRE0.79
CHDCHOLIC ACIDA,B2QD50.79
CHDCHOLIC ACIDA,B3EM00.79
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.79
CHDCHOLIC ACIDA2QO40.79
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.79
JN3CHENODEOXYCHOLIC ACIDA2JN30.79
AE2AETIOCHOLANOLONEA2QP40.84
AE2AETIOCHOLANOLONEA,B1YB10.84
AE2AETIOCHOLANOLONEA2QP30.84
AE2AETIOCHOLANOLONEA,B1X8J0.84
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.84
AE2AETIOCHOLANOLONEH1DBJ0.84
AE2AETIOCHOLANOLONEA1OV40.84