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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03921918

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHDCHOLIC ACIDA,B2PNJ0.74
CHDCHOLIC ACIDA,B1HRK0.74
CHDCHOLIC ACIDA,B2PO70.74
CHDCHOLIC ACIDA2QO60.74
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.74
CHDCHOLIC ACIDA2AZY0.74
CHDCHOLIC ACIDA,B,C2DQY0.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.74
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.74
CHDCHOLIC ACIDA,B,C,D2QD10.74
CHDCHOLIC ACIDA2FT90.74
CHDCHOLIC ACIDA,B2HRC0.74
CHDCHOLIC ACIDA,B1TW40.74
CHDCHOLIC ACIDA,B2QD30.74
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.74
CHDCHOLIC ACIDA2RLC0.74
CHDCHOLIC ACIDA,B1ON50.74
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.74
CHDCHOLIC ACIDA,B2QD40.74
CHDCHOLIC ACIDA2QO50.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.74
CHDCHOLIC ACIDA,B2QD20.74
CHDCHOLIC ACIDA,B,C3ELZ0.74
CHDCHOLIC ACIDA,B2PO50.74
CHDCHOLIC ACIDA,B1S9Q0.74
CHDCHOLIC ACIDA,B1EE20.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.74
CHDCHOLIC ACIDA,B,C,D2HRE0.74
CHDCHOLIC ACIDA,B2QD50.74
CHDCHOLIC ACIDA,B3EM00.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.74
CHDCHOLIC ACIDA2QO40.74
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.74
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.74
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.74
JN3CHENODEOXYCHOLIC ACIDA2JN30.74
ITL(3alpha,5alpha,8alpha)-3-[(N,N-
bis{2-[bis(carboxymethyl)amino]ethyl}-
L-gamma-glutamyl)amino]cholan-24-
oic acid		A2K620.79
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B2PUI0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		C1O910.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B,C,D1XU90.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B3CZR0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A3CIX0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B2PUN0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B,C,D,E,F,
G,H		1IRJ0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A1GR30.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A2OQO0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A1VK50.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B2PUP0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B2OLC0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B,C,D,E,F1HV50.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A3CIW0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B2PUL0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B,C,D1XU70.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B1EX40.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A,B,D1F6A0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A1XJI0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A2Q3T0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A1PUC0.8
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE		A2PU80.8
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.74
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.74
TCHTAUROCHOLIC ACIDA,B,C2DR00.83
TCHTAUROCHOLIC ACIDA,B1AQL0.83
TCHTAUROCHOLIC ACIDA2AZZ0.83
TCHTAUROCHOLIC ACIDA1O1V0.83
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC1
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI1
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B041
TUDTAUROCHENODEOXYCHOLIC ACIDA2B010.83
TUDTAUROCHENODEOXYCHOLIC ACIDA2B030.83
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.78
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.78
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.78
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,B1UZ90.85
GCHGLYCOCHOLIC ACIDA2B001
GCHGLYCOCHOLIC ACIDA1EIO1
DH9(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-
2-HEXYL-3-HYDROXYHEXADECANOIC ACID		A,B2PX60.7
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,C3DV10.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.72