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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03717422

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TUDTAUROCHENODEOXYCHOLIC ACIDA2B010.84
TUDTAUROCHENODEOXYCHOLIC ACIDA2B030.84
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUI0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
C1O910.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU90.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B3CZR0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIX0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUN0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F,
G,H
1IRJ0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1GR30.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2OQO0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1VK50.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUP0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2OLC0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F1HV50.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIW0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUL0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU70.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B1EX40.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,D1F6A0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1XJI0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2Q3T0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1PUC0.81
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2PU80.81
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.79
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.79
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.79
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.72
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,B1UZ90.83
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,C3DV10.71
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.72
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.91
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.91
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.91
AE2AETIOCHOLANOLONEA2QP40.72
AE2AETIOCHOLANOLONEA,B1YB10.72
AE2AETIOCHOLANOLONEA2QP30.72
AE2AETIOCHOLANOLONEA,B1X8J0.72
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.72
AE2AETIOCHOLANOLONEH1DBJ0.72
AE2AETIOCHOLANOLONEA1OV40.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.7
ITL(3alpha,5alpha,8alpha)-3-[(N,N-
bis{2-[bis(carboxymethyl)amino]ethyl}-
L-gamma-glutamyl)amino]cholan-24-
oic acid
A2K620.75
GCHGLYCOCHOLIC ACIDA2B000.91
GCHGLYCOCHOLIC ACIDA1EIO0.91
TCHTAUROCHOLIC ACIDA,B,C2DR00.84
TCHTAUROCHOLIC ACIDA,B1AQL0.84
TCHTAUROCHOLIC ACIDA2AZZ0.84
TCHTAUROCHOLIC ACIDA1O1V0.84