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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02276118

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C5A(1S,3S)-1-aminocyclopentane-1,3-
dicarboxylic acid
A,B2E4W0.74
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1Q8H0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WV70.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2EC90.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,H,L,U2C4F0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2DPQ0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDL1PFX0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1Z6J0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1AG70.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDC,H,L,T2FIR0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1ONU0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2ZZU0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1W2K0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WTG0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1TGG0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,I,L,T2B8O0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1NL10.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WQV0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2PF20.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1WHE0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WUN0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L,T2AER0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1ONT0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1WCT0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,G1IOD0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1W0Y0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1AWY0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDC,H,L1DAN0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1VZM0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2AEI0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDG,L1NL00.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1AD70.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2ZP00.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1Q3M0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1J350.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1P0S0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1WHF0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2ZWL0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1CFI0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2O6N0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1MTQ0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L,T2A2Q0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1J340.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WSS0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C,D1LQV0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1MGX0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B2DPR0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2SPT0.75
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1NL20.75
C5B(1S,3R)-1-AMINOCYCLOPENTANE-1,3-
DICARBOXYLIC ACID
A,B2E4X0.74
DNED-NORLEUCINEA1R9V0.71
DNED-NORLEUCINEA,B1S4A0.71
DNED-NORLEUCINEA,B1S1O0.71
DILD-ISOLEUCINEA,B2Q330.71
DILD-ISOLEUCINEA1CWZ0.71
DILD-ISOLEUCINEA1CVQ0.71
DILD-ISOLEUCINEA1C4B0.71
DILD-ISOLEUCINEA1CW80.71
DILD-ISOLEUCINEA2AP80.71
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.74
IILISO-ISOLEUCINEA,B,C,D1Q4V0.71
IILISO-ISOLEUCINEA1KMF0.71
IILISO-ISOLEUCINEA,B,C1TGG0.71
IILISO-ISOLEUCINEA1RH40.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.72
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.73
DGLD-GLUTAMIC ACIDA,B2JFX0.73
DGLD-GLUTAMIC ACIDA,B,C,H,K,L2R5D0.73
DGLD-GLUTAMIC ACIDA1C4B0.73
DGLD-GLUTAMIC ACIDA1CW80.73
DGLD-GLUTAMIC ACIDA,D1CZQ0.73
DGLD-GLUTAMIC ACIDA,B2JFY0.73
DGLD-GLUTAMIC ACIDI1QUR0.73
DGLD-GLUTAMIC ACIDA,D2Q3I0.73
DGLD-GLUTAMIC ACIDA1CVQ0.73
DGLD-GLUTAMIC ACIDA,B1P4N0.73
DGLD-GLUTAMIC ACIDA,B2VVT0.73
DGLD-GLUTAMIC ACIDE,S148L0.73
DGLD-GLUTAMIC ACIDA1KR60.73
DGLD-GLUTAMIC ACIDA,B,C,D2GZM0.73
DGLD-GLUTAMIC ACIDA1AY30.73
DGLD-GLUTAMIC ACIDA2J8F0.73
DGLD-GLUTAMIC ACIDU2AIZ0.73
DGLD-GLUTAMIC ACIDA,B,C2DWU0.73
DGLD-GLUTAMIC ACIDL2EAX0.73
DGLD-GLUTAMIC ACIDA,B2JFZ0.73
DGLD-GLUTAMIC ACIDH,I4THN0.73
DGLD-GLUTAMIC ACIDA1CWZ0.73
DGLD-GLUTAMIC ACIDP1MCK0.73
DGLD-GLUTAMIC ACIDA2JUE0.73
DGLD-GLUTAMIC ACIDA,B2JFO0.73
DGLD-GLUTAMIC ACIDA3H410.73
DGLD-GLUTAMIC ACIDA1D0K0.73
DGLD-GLUTAMIC ACIDL,N1WCO0.73
DGLD-GLUTAMIC ACIDA,B,C1ZUW0.73
DGLD-GLUTAMIC ACIDH,I5GDS0.73
DGLD-GLUTAMIC ACIDA,B,C,H,K,L2R5B0.73
DGLD-GLUTAMIC ACIDA,B2JFQ0.73
DGLD-GLUTAMIC ACIDA,B2Q330.73
DGLD-GLUTAMIC ACIDA,B2JFP0.73
DGLD-GLUTAMIC ACIDA,B,E,F2W4I0.73
DGLD-GLUTAMIC ACIDA2J8G0.73
DGLD-GLUTAMIC ACIDA,B,C,D2R3C0.73
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.81
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.81
DLED-LEUCINEA,B1ALZ0.71
DLED-LEUCINEA,B1BDW0.71
DLED-LEUCINEA,D1CZQ0.71
DLED-LEUCINEA1BFW0.71
DLED-LEUCINEE,F,G,H1XN20.71
DLED-LEUCINEA,B,C,D1GMK0.71
DLED-LEUCINEA,B1TKQ0.71
DLED-LEUCINEA,B,C,H,K,L2R5D0.71
DLED-LEUCINEA2NPV0.71
DLED-LEUCINEA,B,C,D2R3C0.71
DLED-LEUCINEB,D,E1AFQ0.71
DLED-LEUCINEA,B1MIC0.71
DLED-LEUCINEA,B1NRU0.71
DLED-LEUCINEA,B1JNO0.71
DLED-LEUCINEA,B1GRM0.71
DLED-LEUCINEA,B1NRM0.71
DLED-LEUCINEA,D2Q3I0.71
DLED-LEUCINEA,B1NT50.71
DLED-LEUCINEA2JUE0.71
DLED-LEUCINEA,B,C,D1AV20.71
DLED-LEUCINEA1YY20.71
DLED-LEUCINEA,B1AL40.71
DLED-LEUCINEA,B1NG80.71
DLED-LEUCINEA,B1ALX0.71
DLED-LEUCINEA,B1JO40.71
DLED-LEUCINEA,B,C,H,K,L2R5B0.71
DLED-LEUCINEA,B1MAG0.71
DLED-LEUCINEA,B1NT60.71
DLED-LEUCINEA,B2Q330.71
DLED-LEUCINEA,B1JO30.71
DLED-LEUCINEE,I1BLL0.71
DLED-LEUCINEA,B1KQE0.71
DLED-LEUCINEA,B,C,D1W5U0.71
DLED-LEUCINEA,B,C,D2IZQ0.71
DLED-LEUCINEA1C4B0.71
DLED-LEUCINEA,B,C,D1C4D0.71
LED(4R)-5-OXO-L-LEUCINEA2IUW0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.71
2CG(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-
1,2-dicarboxylic acid
A,B2E4V0.76
GAMALPHA-METHYL-L-GLUTAMIC ACIDA,B1BJO0.72
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.72
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.72
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.72
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.72
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.72
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.78
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.72
CHGCYCLOHEXYL-GLYCINEH,I4THN0.72
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.72
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.72