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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03030086

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AE2AETIOCHOLANOLONEA2QP40.71
AE2AETIOCHOLANOLONEA,B1YB10.71
AE2AETIOCHOLANOLONEA2QP30.71
AE2AETIOCHOLANOLONEA,B1X8J0.71
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.71
AE2AETIOCHOLANOLONEH1DBJ0.71
AE2AETIOCHOLANOLONEA1OV40.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.72
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.72
DAOLAURIC ACIDA,B2B5S0.7
DAOLAURIC ACID1,51V9U0.7
DAOLAURIC ACIDA2AF90.7
DAOLAURIC ACIDA2GFY0.7
DAOLAURIC ACIDA2GMC0.7
DAOLAURIC ACID11FPN0.7
DAOLAURIC ACIDA1QFF0.7
DAOLAURIC ACIDA,B1MA00.7
DAOLAURIC ACIDA,B,C1TJJ0.7
DAOLAURIC ACIDA2AGC0.7
DAOLAURIC ACID1,41AYM0.7
DAOLAURIC ACID1,41AYN0.7
DAOLAURIC ACIDA,B,C,D2BZ30.7
DAOLAURIC ACIDA2OVD0.7
DAOLAURIC ACIDA,B2ALG0.7
DAOLAURIC ACIDA,B,C,D3FXI0.7
DAOLAURIC ACIDA1FK10.7
DAOLAURIC ACIDA,B,C,D1EK40.7
DAOLAURIC ACIDA,B2QHD0.7
DAOLAURIC ACIDA2GMD0.7
DAOLAURIC ACIDA,B2GRX0.7
DAOLAURIC ACIDA1QFG0.7
DAOLAURIC ACIDA,B,C2AG20.7
DAOLAURIC ACIDA,E3DPR0.7
DAOLAURIC ACIDA,B,C,D2BYZ0.7
DAOLAURIC ACIDA1E7F0.7
DAOLAURIC ACIDA,B1HZP0.7
DAOLAURIC ACIDA,B,C,D2BYX0.7
DAOLAURIC ACIDA1S8G0.7
DAOLAURIC ACIDA,B,C,D1M7W0.7
DAOLAURIC ACIDA2EVD0.7
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.78
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.71
CHDCHOLIC ACIDA,B2PNJ0.72
CHDCHOLIC ACIDA,B1HRK0.72
CHDCHOLIC ACIDA,B2PO70.72
CHDCHOLIC ACIDA2QO60.72
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.72
CHDCHOLIC ACIDA2AZY0.72
CHDCHOLIC ACIDA,B,C2DQY0.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.72
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.72
CHDCHOLIC ACIDA,B,C,D2QD10.72
CHDCHOLIC ACIDA2FT90.72
CHDCHOLIC ACIDA,B2HRC0.72
CHDCHOLIC ACIDA,B1TW40.72
CHDCHOLIC ACIDA,B2QD30.72
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.72
CHDCHOLIC ACIDA2RLC0.72
CHDCHOLIC ACIDA,B1ON50.72
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.72
CHDCHOLIC ACIDA,B2QD40.72
CHDCHOLIC ACIDA2QO50.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.72
CHDCHOLIC ACIDA,B2QD20.72
CHDCHOLIC ACIDA,B,C3ELZ0.72
CHDCHOLIC ACIDA,B2PO50.72
CHDCHOLIC ACIDA,B1S9Q0.72
CHDCHOLIC ACIDA,B1EE20.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.72
CHDCHOLIC ACIDA,B,C,D2HRE0.72
CHDCHOLIC ACIDA,B2QD50.72
CHDCHOLIC ACIDA,B3EM00.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.72
CHDCHOLIC ACIDA2QO40.72
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.72
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.72
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.72
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.72
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.7
0PAcyclopentylacetic acidA,B3DWR0.8
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.71
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.71
1NB2-(2-HYDROXY-CYCLOPENTYL)-PENT-
4-ENAL		P1BRU0.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.71
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE		A,B,C,D,E,F,
G,H,I,J,K,L		1SZO0.76
CAH5-EXO-HYDROXYCAMPHORA1NOO0.73
DCRicosanoic acidA,B,C,D3EUT0.71
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.78
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.75
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.75
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.75
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.75
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.75
AZ1AZELAIC ACIDA,B1TUF0.7
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.7
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.84