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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02331670

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.8
DAOLAURIC ACIDA,B2B5S0.72
DAOLAURIC ACID1,51V9U0.72
DAOLAURIC ACIDA2AF90.72
DAOLAURIC ACIDA2GFY0.72
DAOLAURIC ACIDA2GMC0.72
DAOLAURIC ACID11FPN0.72
DAOLAURIC ACIDA1QFF0.72
DAOLAURIC ACIDA,B1MA00.72
DAOLAURIC ACIDA,B,C1TJJ0.72
DAOLAURIC ACIDA2AGC0.72
DAOLAURIC ACID1,41AYM0.72
DAOLAURIC ACID1,41AYN0.72
DAOLAURIC ACIDA,B,C,D2BZ30.72
DAOLAURIC ACIDA2OVD0.72
DAOLAURIC ACIDA,B2ALG0.72
DAOLAURIC ACIDA,B,C,D3FXI0.72
DAOLAURIC ACIDA1FK10.72
DAOLAURIC ACIDA,B,C,D1EK40.72
DAOLAURIC ACIDA,B2QHD0.72
DAOLAURIC ACIDA2GMD0.72
DAOLAURIC ACIDA,B2GRX0.72
DAOLAURIC ACIDA1QFG0.72
DAOLAURIC ACIDA,B,C2AG20.72
DAOLAURIC ACIDA,E3DPR0.72
DAOLAURIC ACIDA,B,C,D2BYZ0.72
DAOLAURIC ACIDA1E7F0.72
DAOLAURIC ACIDA,B1HZP0.72
DAOLAURIC ACIDA,B,C,D2BYX0.72
DAOLAURIC ACIDA1S8G0.72
DAOLAURIC ACIDA,B,C,D1M7W0.72
DAOLAURIC ACIDA2EVD0.72
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.88
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.75
OHA10-oxohexadecanoic acidA,B,C,D2OD60.75
TDAN-TRIDECANOIC ACIDA,B1TP20.72
TDAN-TRIDECANOIC ACIDA,B1QLL0.72
TDAN-TRIDECANOIC ACIDA1TC80.72
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE		A,B,C,D,E,F,
G,H,I,J,K,L		1SZO0.72
4AT5-OXOHEXANOIC ACIDA,B2EFY0.7
OCAOCTANOIC ACID (CAPRYLIC ACID)A2QHS0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A1U8U0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A1V2G0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A2EUM0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A,B1H2B0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A,B,C,D2BUI0.72
CAH5-EXO-HYDROXYCAMPHORA1NOO0.71
MYRMYRISTIC ACIDA1BJ50.72
MYRMYRISTIC ACIDA1N5U0.72
MYRMYRISTIC ACIDA1WC80.72
MYRMYRISTIC ACIDA2K5U0.72
MYRMYRISTIC ACID1,41COV0.72
MYRMYRISTIC ACIDA1PZL0.72
MYRMYRISTIC ACIDA1JSA0.72
MYRMYRISTIC ACIDA1WC90.72
MYRMYRISTIC ACID1,41PVC0.72
MYRMYRISTIC ACID1,41AYN0.72
MYRMYRISTIC ACIDA,B2AG90.72
MYRMYRISTIC ACIDA2BXN0.72
MYRMYRISTIC ACIDA,B,C,D3FXI0.72
MYRMYRISTIC ACID1,41EAH0.72
MYRMYRISTIC ACIDA2BAU0.72
MYRMYRISTIC ACID1,41AR60.72
MYRMYRISTIC ACIDA1NFP0.72
MYRMYRISTIC ACIDA2H3Q0.72
MYRMYRISTIC ACID1,43EPD0.72
MYRMYRISTIC ACIDA1E7G0.72
MYRMYRISTIC ACID1,41AL20.72
MYRMYRISTIC ACIDA3B9L0.72
MYRMYRISTIC ACIDE,I1CMK0.72
MYRMYRISTIC ACIDA2BXI0.72
MYRMYRISTIC ACIDA2JMG0.72
MYRMYRISTIC ACIDA,B,C1TCO0.72
MYRMYRISTIC ACIDA1HA20.72
MYRMYRISTIC ACIDA2BXO0.72
MYRMYRISTIC ACID1,41PO20.72
MYRMYRISTIC ACIDA1BKE0.72
MYRMYRISTIC ACID1,43EPC0.72
MYRMYRISTIC ACIDA,D1ND20.72
MYRMYRISTIC ACIDA,B1OPL0.72
MYRMYRISTIC ACIDA1FK20.72
MYRMYRISTIC ACIDA1LA30.72
MYRMYRISTIC ACIDA2I2Z0.72
MYRMYRISTIC ACIDE,I1CTP0.72
MYRMYRISTIC ACIDA,B2GRX0.72
MYRMYRISTIC ACIDA,B,C,D,E,F,
G,H		1XDA0.72
MYRMYRISTIC ACIDA1QFG0.72
MYRMYRISTIC ACIDA,B,C,D1TED0.72
MYRMYRISTIC ACIDA,B,C2AG20.72
MYRMYRISTIC ACIDA1QA50.72
MYRMYRISTIC ACIDA3B9M0.72
MYRMYRISTIC ACID1,41AR80.72
MYRMYRISTIC ACID1,41QJX0.72
MYRMYRISTIC ACIDA2H3I0.72
MYRMYRISTIC ACIDA2K4H0.72
MYRMYRISTIC ACID1,41QJU0.72
MYRMYRISTIC ACID1,41ASJ0.72
MYRMYRISTIC ACIDA2BXK0.72
MYRMYRISTIC ACIDA2E560.72
MYRMYRISTIC ACID1,41VBD0.72
MYRMYRISTIC ACIDA,B1CDK0.72
MYRMYRISTIC ACIDA2BXL0.72
MYRMYRISTIC ACIDA1O9X0.72
MYRMYRISTIC ACIDA2FO00.72
MYRMYRISTIC ACIDA3CX90.72
MYRMYRISTIC ACIDA2AGC0.72
MYRMYRISTIC ACIDA1E7C0.72
MYRMYRISTIC ACIDA,B1OPJ0.72
MYRMYRISTIC ACID1,41AR90.72
MYRMYRISTIC ACIDA1H9G0.72
MYRMYRISTIC ACIDA1H9Z0.72
MYRMYRISTIC ACID1,41AR70.72
MYRMYRISTIC ACIDA1OPK0.72
MYRMYRISTIC ACIDA,B1P420.72
MYRMYRISTIC ACIDA2R2I0.72
MYRMYRISTIC ACIDA2BXM0.72
MYRMYRISTIC ACIDA2K4I0.72
MYRMYRISTIC ACIDA,B2GO30.72
MYRMYRISTIC ACIDA2NV30.72
MYRMYRISTIC ACIDA1UPH0.72
MYRMYRISTIC ACIDA1HK40.72
MYRMYRISTIC ACIDA,B1V260.72
MYRMYRISTIC ACID1,41EV10.72
MYRMYRISTIC ACIDA1ICM0.72
MYRMYRISTIC ACIDA2I300.72
MYRMYRISTIC ACIDA2BAO0.72
MYRMYRISTIC ACID1,43EPF0.72
MYRMYRISTIC ACIDA1HBK0.72
MYRMYRISTIC ACIDA2AF90.72
MYRMYRISTIC ACID1,41QJY0.72
MYRMYRISTIC ACID1,41D4M0.72
MYRMYRISTIC ACID0,11POV0.72
MYRMYRISTIC ACID1,41VBA0.72
MYRMYRISTIC ACIDA,D1NCR0.72
MYRMYRISTIC ACIDA,D1OOP0.72
MYRMYRISTIC ACIDA2BXP0.72
MYRMYRISTIC ACIDA1QFF0.72
MYRMYRISTIC ACID1,41VBB0.72
MYRMYRISTIC ACIDA2PWN0.72
MYRMYRISTIC ACID1,41HXS0.72
MYRMYRISTIC ACIDA2BXQ0.72
MYRMYRISTIC ACIDA,B2J650.72
MYRMYRISTIC ACIDA,D1H8T0.72
MYRMYRISTIC ACIDA,B1L7Z0.72
MYRMYRISTIC ACID1,41AYM0.72
MYRMYRISTIC ACID1,21BEV0.72
MYRMYRISTIC ACID1,41VBC0.72
MYRMYRISTIC ACID1,2,41Z7S0.72
MYRMYRISTIC ACID1,41PO10.72
MYRMYRISTIC ACID1,41VBE0.72
MYRMYRISTIC ACID1,42PLV0.72
MYRMYRISTIC ACIDA1HK50.72
MYRMYRISTIC ACIDA1UVA0.72
MYRMYRISTIC ACIDA1IKU0.72
MYRMYRISTIC ACID1,41PIV0.72
MYRMYRISTIC ACIDA3EE40.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.71
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.71
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.71
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.71
F15PENTADECANOIC ACIDA,C,D1XVP0.72
F15PENTADECANOIC ACIDA,C,D1XV90.72
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.72
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.8
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.72
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.72
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.72
DKADECANOIC ACIDA1TFJ0.72
DKADECANOIC ACIDA1WBE0.72
DKADECANOIC ACIDA1E7E0.72
DKADECANOIC ACIDA1XT70.72
DKADECANOIC ACIDA1W660.72
DKADECANOIC ACIDA,B,C,D1F910.72
DKADECANOIC ACIDA1T5N0.72
DKADECANOIC ACIDA,B,C,D,E,F,
G,H,J,K,L,M,
N,P,Q,R		1P8J0.72
DKADECANOIC ACIDA3DFK0.72
DKADECANOIC ACIDA2VDB0.72
DKADECANOIC ACIDA2FVF0.72
DKADECANOIC ACIDA,B,C,D1GXS0.72
DKADECANOIC ACIDA1T5M0.72
DKADECANOIC ACIDA1FK00.72
DKADECANOIC ACIDA1TF00.72
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.78