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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02849106

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SHVHEPTANOIC ACIDA1PO80.79
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.74
REDDIHYDROLIPOIC ACIDA,B2Q8I0.71
REDDIHYDROLIPOIC ACIDA1WOR0.71
REDDIHYDROLIPOIC ACIDA,B1DXM0.71
REDDIHYDROLIPOIC ACIDC,G2PNR0.71
TDAN-TRIDECANOIC ACIDA,B1TP20.86
TDAN-TRIDECANOIC ACIDA,B1QLL0.86
TDAN-TRIDECANOIC ACIDA1TC80.86
NONMETHYL NONANOATE (ESTER)A1QQS0.75
NONMETHYL NONANOATE (ESTER)H1CLZ0.75
NONMETHYL NONANOATE (ESTER)H1CLY0.75
DAOLAURIC ACIDA,B2B5S0.86
DAOLAURIC ACID1,51V9U0.86
DAOLAURIC ACIDA2AF90.86
DAOLAURIC ACIDA2GFY0.86
DAOLAURIC ACIDA2GMC0.86
DAOLAURIC ACID11FPN0.86
DAOLAURIC ACIDA1QFF0.86
DAOLAURIC ACIDA,B1MA00.86
DAOLAURIC ACIDA,B,C1TJJ0.86
DAOLAURIC ACIDA2AGC0.86
DAOLAURIC ACID1,41AYM0.86
DAOLAURIC ACID1,41AYN0.86
DAOLAURIC ACIDA,B,C,D2BZ30.86
DAOLAURIC ACIDA2OVD0.86
DAOLAURIC ACIDA,B2ALG0.86
DAOLAURIC ACIDA,B,C,D3FXI0.86
DAOLAURIC ACIDA1FK10.86
DAOLAURIC ACIDA,B,C,D1EK40.86
DAOLAURIC ACIDA,B2QHD0.86
DAOLAURIC ACIDA2GMD0.86
DAOLAURIC ACIDA,B2GRX0.86
DAOLAURIC ACIDA1QFG0.86
DAOLAURIC ACIDA,B,C2AG20.86
DAOLAURIC ACIDA,E3DPR0.86
DAOLAURIC ACIDA,B,C,D2BYZ0.86
DAOLAURIC ACIDA1E7F0.86
DAOLAURIC ACIDA,B1HZP0.86
DAOLAURIC ACIDA,B,C,D2BYX0.86
DAOLAURIC ACIDA1S8G0.86
DAOLAURIC ACIDA,B,C,D1M7W0.86
DAOLAURIC ACIDA2EVD0.86
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.78
BRC12-BROMODODECANOIC ACIDA1BSO0.74
PLMPALMITIC ACIDA2UUI0.82
PLMPALMITIC ACIDA,B,C,D,E,F2UWH0.82
PLMPALMITIC ACIDA,B3EPY0.82
PLMPALMITIC ACIDA,B2W3Y0.82
PLMPALMITIC ACIDA1JTB0.82
PLMPALMITIC ACIDA1M670.82
PLMPALMITIC ACIDA2Z6V0.82
PLMPALMITIC ACIDA,B1E120.82
PLMPALMITIC ACIDA,B2GO30.82
PLMPALMITIC ACIDA,B,C2NWL0.82
PLMPALMITIC ACIDA1MDC0.82
PLMPALMITIC ACIDA,B3BDQ0.82
PLMPALMITIC ACIDA3BFH0.82
PLMPALMITIC ACIDA2DT80.82
PLMPALMITIC ACIDA,B2IES0.82
PLMPALMITIC ACID1,41EV10.82
PLMPALMITIC ACIDA3BKR0.82
PLMPALMITIC ACIDA,B1VPV0.82
PLMPALMITIC ACIDA,B,C3EGL0.82
PLMPALMITIC ACIDA2E9M0.82
PLMPALMITIC ACIDA2VN00.82
PLMPALMITIC ACIDA,B2HPY0.82
PLMPALMITIC ACIDA1N1G0.82
PLMPALMITIC ACIDA,B,C2NWX0.82
PLMPALMITIC ACIDA1B0O0.82
PLMPALMITIC ACIDA2ZIY0.82
PLMPALMITIC ACIDA1ACA0.82
PLMPALMITIC ACIDA2ZWS0.82
PLMPALMITIC ACIDA3FYS0.82
PLMPALMITIC ACIDA,B1L9H0.82
PLMPALMITIC ACIDA1SZ70.82
PLMPALMITIC ACIDA,C,E1O6U0.82
PLMPALMITIC ACIDA,B2NNH0.82
PLMPALMITIC ACIDA,B2DEB0.82
PLMPALMITIC ACIDA,B,C2DQZ0.82
PLMPALMITIC ACIDA2FIK0.82
PLMPALMITIC ACIDA1M660.82
PLMPALMITIC ACID1,41HXS0.82
PLMPALMITIC ACIDA,B2Z730.82
PLMPALMITIC ACIDA2PFC0.82
PLMPALMITIC ACIDA2IFB0.82
PLMPALMITIC ACIDA2HMB0.82
PLMPALMITIC ACIDA1EH50.82
PLMPALMITIC ACIDA,B3CAP0.82
PLMPALMITIC ACIDA,B1U190.82
PLMPALMITIC ACIDA,B,C2DQY0.82
PLMPALMITIC ACIDA,C2Q7Y0.82
PLMPALMITIC ACIDA1BE20.82
PLMPALMITIC ACIDA,B1PQ20.82
PLMPALMITIC ACIDA,B1HZX0.82
PLMPALMITIC ACIDA1NVL0.82
PLMPALMITIC ACIDA,B2PED0.82
PLMPALMITIC ACIDA1O8V0.82
PLMPALMITIC ACIDA,B1GZM0.82
PLMPALMITIC ACIDA2JAF0.82
PLMPALMITIC ACIDA2NNI0.82
PLMPALMITIC ACIDA2E9L0.82
PLMPALMITIC ACIDA1LIE0.82
PLMPALMITIC ACIDA3BKS0.82
PLMPALMITIC ACIDE,K,Q,W3CUE0.82
PLMPALMITIC ACIDA3DQB0.82
PLMPALMITIC ACIDA2HNX0.82
PLMPALMITIC ACIDA1PZ40.82
PLMPALMITIC ACIDA1MGP0.82
PLMPALMITIC ACIDA1MZM0.82
PLMPALMITIC ACIDA2NNJ0.82
PLMPALMITIC ACIDA1E7H0.82
PLMPALMITIC ACIDA,B1PZX0.82
PLMPALMITIC ACIDA1URE0.82
PLMPALMITIC ACIDA2RH10.82
PLMPALMITIC ACIDA2UUH0.82
PLMPALMITIC ACIDA3C9L0.82
PLMPALMITIC ACIDA,B2QZT0.82
PLMPALMITIC ACID1,41COV0.82
PLMPALMITIC ACIDA,B2IER0.82
PLMPALMITIC ACIDA,B,C2IU80.82
PLMPALMITIC ACIDA,B,C2IUA0.82
PLMPALMITIC ACIDA1LV20.82
PLMPALMITIC ACIDA3DBX0.82
PLMPALMITIC ACIDA1B560.82
PLMPALMITIC ACIDA2JAG0.82
PLMPALMITIC ACIDA,B,C2I360.82
PLMPALMITIC ACIDA,B,C2IU90.82
PLMPALMITIC ACIDA,B2G870.82
PLMPALMITIC ACIDA1GXA0.82
PLMPALMITIC ACIDA2ZOX0.82
PLMPALMITIC ACIDA2I350.82
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.71
6NAHEXANOIC ACIDA,B2IX40.71
6NAHEXANOIC ACIDA,B2IWZ0.71
6NAHEXANOIC ACIDA2IQ00.71
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.74
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.74
4MV4-METHYL VALERIC ACIDA2ECO0.74
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.74
4MV4-METHYL VALERIC ACIDA,B2COG0.74
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.89
MYRMYRISTIC ACIDA1BJ50.86
MYRMYRISTIC ACIDA1N5U0.86
MYRMYRISTIC ACIDA1WC80.86
MYRMYRISTIC ACIDA2K5U0.86
MYRMYRISTIC ACID1,41COV0.86
MYRMYRISTIC ACIDA1PZL0.86
MYRMYRISTIC ACIDA1JSA0.86
MYRMYRISTIC ACIDA1WC90.86
MYRMYRISTIC ACID1,41PVC0.86
MYRMYRISTIC ACID1,41AYN0.86
MYRMYRISTIC ACIDA,B2AG90.86
MYRMYRISTIC ACIDA2BXN0.86
MYRMYRISTIC ACIDA,B,C,D3FXI0.86
MYRMYRISTIC ACID1,41EAH0.86
MYRMYRISTIC ACIDA2BAU0.86
MYRMYRISTIC ACID1,41AR60.86
MYRMYRISTIC ACIDA1NFP0.86
MYRMYRISTIC ACIDA2H3Q0.86
MYRMYRISTIC ACID1,43EPD0.86
MYRMYRISTIC ACIDA1E7G0.86
MYRMYRISTIC ACID1,41AL20.86
MYRMYRISTIC ACIDA3B9L0.86
MYRMYRISTIC ACIDE,I1CMK0.86
MYRMYRISTIC ACIDA2BXI0.86
MYRMYRISTIC ACIDA2JMG0.86
MYRMYRISTIC ACIDA,B,C1TCO0.86
MYRMYRISTIC ACIDA1HA20.86
MYRMYRISTIC ACIDA2BXO0.86
MYRMYRISTIC ACID1,41PO20.86
MYRMYRISTIC ACIDA1BKE0.86
MYRMYRISTIC ACID1,43EPC0.86
MYRMYRISTIC ACIDA,D1ND20.86
MYRMYRISTIC ACIDA,B1OPL0.86
MYRMYRISTIC ACIDA1FK20.86
MYRMYRISTIC ACIDA1LA30.86
MYRMYRISTIC ACIDA2I2Z0.86
MYRMYRISTIC ACIDE,I1CTP0.86
MYRMYRISTIC ACIDA,B2GRX0.86
MYRMYRISTIC ACIDA,B,C,D,E,F,
G,H		1XDA0.86
MYRMYRISTIC ACIDA1QFG0.86
MYRMYRISTIC ACIDA,B,C,D1TED0.86
MYRMYRISTIC ACIDA,B,C2AG20.86
MYRMYRISTIC ACIDA1QA50.86
MYRMYRISTIC ACIDA3B9M0.86
MYRMYRISTIC ACID1,41AR80.86
MYRMYRISTIC ACID1,41QJX0.86
MYRMYRISTIC ACIDA2H3I0.86
MYRMYRISTIC ACIDA2K4H0.86
MYRMYRISTIC ACID1,41QJU0.86
MYRMYRISTIC ACID1,41ASJ0.86
MYRMYRISTIC ACIDA2BXK0.86
MYRMYRISTIC ACIDA2E560.86
MYRMYRISTIC ACID1,41VBD0.86
MYRMYRISTIC ACIDA,B1CDK0.86
MYRMYRISTIC ACIDA2BXL0.86
MYRMYRISTIC ACIDA1O9X0.86
MYRMYRISTIC ACIDA2FO00.86
MYRMYRISTIC ACIDA3CX90.86
MYRMYRISTIC ACIDA2AGC0.86
MYRMYRISTIC ACIDA1E7C0.86
MYRMYRISTIC ACIDA,B1OPJ0.86
MYRMYRISTIC ACID1,41AR90.86
MYRMYRISTIC ACIDA1H9G0.86
MYRMYRISTIC ACIDA1H9Z0.86
MYRMYRISTIC ACID1,41AR70.86
MYRMYRISTIC ACIDA1OPK0.86
MYRMYRISTIC ACIDA,B1P420.86
MYRMYRISTIC ACIDA2R2I0.86
MYRMYRISTIC ACIDA2BXM0.86
MYRMYRISTIC ACIDA2K4I0.86
MYRMYRISTIC ACIDA,B2GO30.86
MYRMYRISTIC ACIDA2NV30.86
MYRMYRISTIC ACIDA1UPH0.86
MYRMYRISTIC ACIDA1HK40.86
MYRMYRISTIC ACIDA,B1V260.86
MYRMYRISTIC ACID1,41EV10.86
MYRMYRISTIC ACIDA1ICM0.86
MYRMYRISTIC ACIDA2I300.86
MYRMYRISTIC ACIDA2BAO0.86
MYRMYRISTIC ACID1,43EPF0.86
MYRMYRISTIC ACIDA1HBK0.86
MYRMYRISTIC ACIDA2AF90.86
MYRMYRISTIC ACID1,41QJY0.86
MYRMYRISTIC ACID1,41D4M0.86
MYRMYRISTIC ACID0,11POV0.86
MYRMYRISTIC ACID1,41VBA0.86
MYRMYRISTIC ACIDA,D1NCR0.86
MYRMYRISTIC ACIDA,D1OOP0.86
MYRMYRISTIC ACIDA2BXP0.86
MYRMYRISTIC ACIDA1QFF0.86
MYRMYRISTIC ACID1,41VBB0.86
MYRMYRISTIC ACIDA2PWN0.86
MYRMYRISTIC ACID1,41HXS0.86
MYRMYRISTIC ACIDA2BXQ0.86
MYRMYRISTIC ACIDA,B2J650.86
MYRMYRISTIC ACIDA,D1H8T0.86
MYRMYRISTIC ACIDA,B1L7Z0.86
MYRMYRISTIC ACID1,41AYM0.86
MYRMYRISTIC ACID1,21BEV0.86
MYRMYRISTIC ACID1,41VBC0.86
MYRMYRISTIC ACID1,2,41Z7S0.86
MYRMYRISTIC ACID1,41PO10.86
MYRMYRISTIC ACID1,41VBE0.86
MYRMYRISTIC ACID1,42PLV0.86
MYRMYRISTIC ACIDA1HK50.86
MYRMYRISTIC ACIDA1UVA0.86
MYRMYRISTIC ACIDA1IKU0.86
MYRMYRISTIC ACID1,41PIV0.86
MYRMYRISTIC ACIDA3EE40.86
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.8
STESTEARIC ACIDA,B1XXS0.82
STESTEARIC ACIDA,B3CJD0.82
STESTEARIC ACIDA,B1UVC0.82
STESTEARIC ACIDA1K4W0.82
STESTEARIC ACIDA1E7I0.82
STESTEARIC ACIDA1FK40.82
STESTEARIC ACIDA1HMT0.82
STESTEARIC ACIDA1LIF0.82
STESTEARIC ACIDA2FVA0.82
STESTEARIC ACIDA,B3FLV0.82
STESTEARIC ACIDA3EML0.82
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.77
AZ1AZELAIC ACIDA,B1TUF0.81
LIK3,6-BIS(METHYLENE)DECANOIC ACIDA2HLV0.73
MDX11-MERCAPTOUNDECANOIC ACIDA,B2QNX0.73
OCAOCTANOIC ACID (CAPRYLIC ACID)A2QHS0.86
OCAOCTANOIC ACID (CAPRYLIC ACID)A1U8U0.86
OCAOCTANOIC ACID (CAPRYLIC ACID)A1V2G0.86
OCAOCTANOIC ACID (CAPRYLIC ACID)A2EUM0.86
OCAOCTANOIC ACID (CAPRYLIC ACID)A,B1H2B0.86
OCAOCTANOIC ACID (CAPRYLIC ACID)A,B,C,D2BUI0.86
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVD0.71
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVE0.71
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID		A2F9A0.75
F15PENTADECANOIC ACIDA,C,D1XVP0.86
F15PENTADECANOIC ACIDA,C,D1XV90.86
OHA10-oxohexadecanoic acidA,B,C,D2OD60.8
VZZ11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACIDA,B2QO10.71
DCRicosanoic acidA,B,C,D3EUT0.82
F23TRICOSANOIC ACIDA,B1LLF0.82
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.74
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.74
4OX4-OXODECANEDIOIC ACIDA1GJP0.74
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.89
DECSEBACIC ACIDA,B,C,D1CLS0.81
DKADECANOIC ACIDA1TFJ0.86
DKADECANOIC ACIDA1WBE0.86
DKADECANOIC ACIDA1E7E0.86
DKADECANOIC ACIDA1XT70.86
DKADECANOIC ACIDA1W660.86
DKADECANOIC ACIDA,B,C,D1F910.86
DKADECANOIC ACIDA1T5N0.86
DKADECANOIC ACIDA,B,C,D,E,F,
G,H,J,K,L,M,
N,P,Q,R		1P8J0.86
DKADECANOIC ACIDA3DFK0.86
DKADECANOIC ACIDA2VDB0.86
DKADECANOIC ACIDA2FVF0.86
DKADECANOIC ACIDA,B,C,D1GXS0.86
DKADECANOIC ACIDA1T5M0.86
DKADECANOIC ACIDA1FK00.86
DKADECANOIC ACIDA1TF00.86
LTL6-HYDROXY-6-METHYL-HEPTAN-3-ONEA1I050.72
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.77
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.77
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.77
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.91
PMLPIMELIC ACIDA1KGT0.74
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.72
DSB4,7-DIOXOSEBACIC ACIDA,B1I8J0.72
DSB4,7-DIOXOSEBACIC ACIDA1EB30.72
DSB4,7-DIOXOSEBACIC ACIDA,B1L6S0.72
DSB4,7-DIOXOSEBACIC ACIDA,B2C1H0.72
0PAcyclopentylacetic acidA,B3DWR0.84
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.98
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.72
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.72
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.86