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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021410

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SLE2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACIDA,B1ATL0.76
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.73
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.71
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.71
MYRMYRISTIC ACIDA1BJ50.73
MYRMYRISTIC ACIDA1N5U0.73
MYRMYRISTIC ACIDA1WC80.73
MYRMYRISTIC ACIDA2K5U0.73
MYRMYRISTIC ACID1,41COV0.73
MYRMYRISTIC ACIDA1PZL0.73
MYRMYRISTIC ACIDA1JSA0.73
MYRMYRISTIC ACIDA1WC90.73
MYRMYRISTIC ACID1,41PVC0.73
MYRMYRISTIC ACID1,41AYN0.73
MYRMYRISTIC ACIDA,B2AG90.73
MYRMYRISTIC ACIDA2BXN0.73
MYRMYRISTIC ACIDA,B,C,D3FXI0.73
MYRMYRISTIC ACID1,41EAH0.73
MYRMYRISTIC ACIDA2BAU0.73
MYRMYRISTIC ACID1,41AR60.73
MYRMYRISTIC ACIDA1NFP0.73
MYRMYRISTIC ACIDA2H3Q0.73
MYRMYRISTIC ACID1,43EPD0.73
MYRMYRISTIC ACIDA1E7G0.73
MYRMYRISTIC ACID1,41AL20.73
MYRMYRISTIC ACIDA3B9L0.73
MYRMYRISTIC ACIDE,I1CMK0.73
MYRMYRISTIC ACIDA2BXI0.73
MYRMYRISTIC ACIDA2JMG0.73
MYRMYRISTIC ACIDA,B,C1TCO0.73
MYRMYRISTIC ACIDA1HA20.73
MYRMYRISTIC ACIDA2BXO0.73
MYRMYRISTIC ACID1,41PO20.73
MYRMYRISTIC ACIDA1BKE0.73
MYRMYRISTIC ACID1,43EPC0.73
MYRMYRISTIC ACIDA,D1ND20.73
MYRMYRISTIC ACIDA,B1OPL0.73
MYRMYRISTIC ACIDA1FK20.73
MYRMYRISTIC ACIDA1LA30.73
MYRMYRISTIC ACIDA2I2Z0.73
MYRMYRISTIC ACIDE,I1CTP0.73
MYRMYRISTIC ACIDA,B2GRX0.73
MYRMYRISTIC ACIDA,B,C,D,E,F,
G,H		1XDA0.73
MYRMYRISTIC ACIDA1QFG0.73
MYRMYRISTIC ACIDA,B,C,D1TED0.73
MYRMYRISTIC ACIDA,B,C2AG20.73
MYRMYRISTIC ACIDA1QA50.73
MYRMYRISTIC ACIDA3B9M0.73
MYRMYRISTIC ACID1,41AR80.73
MYRMYRISTIC ACID1,41QJX0.73
MYRMYRISTIC ACIDA2H3I0.73
MYRMYRISTIC ACIDA2K4H0.73
MYRMYRISTIC ACID1,41QJU0.73
MYRMYRISTIC ACID1,41ASJ0.73
MYRMYRISTIC ACIDA2BXK0.73
MYRMYRISTIC ACIDA2E560.73
MYRMYRISTIC ACID1,41VBD0.73
MYRMYRISTIC ACIDA,B1CDK0.73
MYRMYRISTIC ACIDA2BXL0.73
MYRMYRISTIC ACIDA1O9X0.73
MYRMYRISTIC ACIDA2FO00.73
MYRMYRISTIC ACIDA3CX90.73
MYRMYRISTIC ACIDA2AGC0.73
MYRMYRISTIC ACIDA1E7C0.73
MYRMYRISTIC ACIDA,B1OPJ0.73
MYRMYRISTIC ACID1,41AR90.73
MYRMYRISTIC ACIDA1H9G0.73
MYRMYRISTIC ACIDA1H9Z0.73
MYRMYRISTIC ACID1,41AR70.73
MYRMYRISTIC ACIDA1OPK0.73
MYRMYRISTIC ACIDA,B1P420.73
MYRMYRISTIC ACIDA2R2I0.73
MYRMYRISTIC ACIDA2BXM0.73
MYRMYRISTIC ACIDA2K4I0.73
MYRMYRISTIC ACIDA,B2GO30.73
MYRMYRISTIC ACIDA2NV30.73
MYRMYRISTIC ACIDA1UPH0.73
MYRMYRISTIC ACIDA1HK40.73
MYRMYRISTIC ACIDA,B1V260.73
MYRMYRISTIC ACID1,41EV10.73
MYRMYRISTIC ACIDA1ICM0.73
MYRMYRISTIC ACIDA2I300.73
MYRMYRISTIC ACIDA2BAO0.73
MYRMYRISTIC ACID1,43EPF0.73
MYRMYRISTIC ACIDA1HBK0.73
MYRMYRISTIC ACIDA2AF90.73
MYRMYRISTIC ACID1,41QJY0.73
MYRMYRISTIC ACID1,41D4M0.73
MYRMYRISTIC ACID0,11POV0.73
MYRMYRISTIC ACID1,41VBA0.73
MYRMYRISTIC ACIDA,D1NCR0.73
MYRMYRISTIC ACIDA,D1OOP0.73
MYRMYRISTIC ACIDA2BXP0.73
MYRMYRISTIC ACIDA1QFF0.73
MYRMYRISTIC ACID1,41VBB0.73
MYRMYRISTIC ACIDA2PWN0.73
MYRMYRISTIC ACID1,41HXS0.73
MYRMYRISTIC ACIDA2BXQ0.73
MYRMYRISTIC ACIDA,B2J650.73
MYRMYRISTIC ACIDA,D1H8T0.73
MYRMYRISTIC ACIDA,B1L7Z0.73
MYRMYRISTIC ACID1,41AYM0.73
MYRMYRISTIC ACID1,21BEV0.73
MYRMYRISTIC ACID1,41VBC0.73
MYRMYRISTIC ACID1,2,41Z7S0.73
MYRMYRISTIC ACID1,41PO10.73
MYRMYRISTIC ACID1,41VBE0.73
MYRMYRISTIC ACID1,42PLV0.73
MYRMYRISTIC ACIDA1HK50.73
MYRMYRISTIC ACIDA1UVA0.73
MYRMYRISTIC ACIDA1IKU0.73
MYRMYRISTIC ACID1,41PIV0.73
MYRMYRISTIC ACIDA3EE40.73
SHVHEPTANOIC ACIDA1PO80.79
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.82
IVAISOVALERIC ACIDA1YOO0.77
IVAISOVALERIC ACIDE,I4ER20.77
IVAISOVALERIC ACIDE,I1APU0.77
IVAISOVALERIC ACIDE,I1APW0.77
IVAISOVALERIC ACIDE,I1APT0.77
IVAISOVALERIC ACIDA2D5Y0.77
IVAISOVALERIC ACIDA,I1GA40.77
IVAISOVALERIC ACIDE,I1PPK0.77
IVAISOVALERIC ACIDA,B,C,D1QS80.77
IVAISOVALERIC ACIDA,B,C1NLU0.77
IVAISOVALERIC ACIDA,B2RMP0.77
IVAISOVALERIC ACIDA,B1KE10.77
IVAISOVALERIC ACIDE,I1PPL0.77
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.77
IVAISOVALERIC ACIDA2D640.77
IVAISOVALERIC ACIDI2ER00.77
IVAISOVALERIC ACIDI1QRP0.77
IVAISOVALERIC ACIDE,I1APV0.77
IVAISOVALERIC ACIDA,B1KDZ0.77
IVAISOVALERIC ACIDA1UK90.77
IVAISOVALERIC ACIDA,I1WKR0.77
IVAISOVALERIC ACIDA,I3FNT0.77
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.77
IVAISOVALERIC ACIDI1PSO0.77
IVAISOVALERIC ACIDI6APR0.77
IVAISOVALERIC ACIDA2D630.77
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.79
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.79
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.77
SMB2-METHYLBUTANOIC ACIDA1UKA0.77
OCAOCTANOIC ACID (CAPRYLIC ACID)A2QHS0.73
OCAOCTANOIC ACID (CAPRYLIC ACID)A1U8U0.73
OCAOCTANOIC ACID (CAPRYLIC ACID)A1V2G0.73
OCAOCTANOIC ACID (CAPRYLIC ACID)A2EUM0.73
OCAOCTANOIC ACID (CAPRYLIC ACID)A,B1H2B0.73
OCAOCTANOIC ACID (CAPRYLIC ACID)A,B,C,D2BUI0.73
TDAN-TRIDECANOIC ACIDA,B1TP20.73
TDAN-TRIDECANOIC ACIDA,B1QLL0.73
TDAN-TRIDECANOIC ACIDA1TC80.73
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.83
LEALEVULINIC ACIDP1VWR0.77
LEALEVULINIC ACIDM,P1VWJ0.77
LEALEVULINIC ACIDA,B1W1Z0.77
LEALEVULINIC ACIDA,B1B4K0.77
LEALEVULINIC ACIDM,P1VWK0.77
LEALEVULINIC ACIDP1VWQ0.77
LEALEVULINIC ACIDA1UK80.77
LEALEVULINIC ACIDM,P1VWL0.77
LEALEVULINIC ACIDM,P1VWI0.77
LEALEVULINIC ACIDA1B4E0.77
0PAcyclopentylacetic acidA,B3DWR0.8
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.89
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.89
4MV4-METHYL VALERIC ACIDA2ECO0.89
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.89
4MV4-METHYL VALERIC ACIDA,B2COG0.89
DAOLAURIC ACIDA,B2B5S0.73
DAOLAURIC ACID1,51V9U0.73
DAOLAURIC ACIDA2AF90.73
DAOLAURIC ACIDA2GFY0.73
DAOLAURIC ACIDA2GMC0.73
DAOLAURIC ACID11FPN0.73
DAOLAURIC ACIDA1QFF0.73
DAOLAURIC ACIDA,B1MA00.73
DAOLAURIC ACIDA,B,C1TJJ0.73
DAOLAURIC ACIDA2AGC0.73
DAOLAURIC ACID1,41AYM0.73
DAOLAURIC ACID1,41AYN0.73
DAOLAURIC ACIDA,B,C,D2BZ30.73
DAOLAURIC ACIDA2OVD0.73
DAOLAURIC ACIDA,B2ALG0.73
DAOLAURIC ACIDA,B,C,D3FXI0.73
DAOLAURIC ACIDA1FK10.73
DAOLAURIC ACIDA,B,C,D1EK40.73
DAOLAURIC ACIDA,B2QHD0.73
DAOLAURIC ACIDA2GMD0.73
DAOLAURIC ACIDA,B2GRX0.73
DAOLAURIC ACIDA1QFG0.73
DAOLAURIC ACIDA,B,C2AG20.73
DAOLAURIC ACIDA,E3DPR0.73
DAOLAURIC ACIDA,B,C,D2BYZ0.73
DAOLAURIC ACIDA1E7F0.73
DAOLAURIC ACIDA,B1HZP0.73
DAOLAURIC ACIDA,B,C,D2BYX0.73
DAOLAURIC ACIDA1S8G0.73
DAOLAURIC ACIDA,B,C,D1M7W0.73
DAOLAURIC ACIDA2EVD0.73
4AT5-OXOHEXANOIC ACIDA,B2EFY0.75
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.81
DKADECANOIC ACIDA1TFJ0.73
DKADECANOIC ACIDA1WBE0.73
DKADECANOIC ACIDA1E7E0.73
DKADECANOIC ACIDA1XT70.73
DKADECANOIC ACIDA1W660.73
DKADECANOIC ACIDA,B,C,D1F910.73
DKADECANOIC ACIDA1T5N0.73
DKADECANOIC ACIDA,B,C,D,E,F,
G,H,J,K,L,M,
N,P,Q,R		1P8J0.73
DKADECANOIC ACIDA3DFK0.73
DKADECANOIC ACIDA2VDB0.73
DKADECANOIC ACIDA2FVF0.73
DKADECANOIC ACIDA,B,C,D1GXS0.73
DKADECANOIC ACIDA1T5M0.73
DKADECANOIC ACIDA1FK00.73
DKADECANOIC ACIDA1TF00.73
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.75
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.71
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.7
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.77
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.77
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.77
F15PENTADECANOIC ACIDA,C,D1XVP0.73
F15PENTADECANOIC ACIDA,C,D1XV90.73
6NAHEXANOIC ACIDA,B2IX40.86
6NAHEXANOIC ACIDA,B2IWZ0.86
6NAHEXANOIC ACIDA2IQ00.86
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.72
PMLPIMELIC ACIDA1KGT0.74
LMLISOBUTYL MALONIC ACIDA1BFW0.78
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.7
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.7