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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02855657

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CANCANALINEA,B,C2CAN0.7
ALOALLO-THREONINEI,P1HDT0.92
ALOALLO-THREONINEA2JUU0.92
ALOALLO-THREONINEA2VMX0.92
AEITHREONINE-ASPARTIC ESTERA,B,C,D4ECA0.71
BIU5-bromo-L-isoleucineA3EDS0.71
AHHAMINO-HYDROXYHEPTANOIC ACIDA,I3MAT0.73
BHDBETA-HYDROXYASPARTIC ACIDA1WHE0.73
BHDBETA-HYDROXYASPARTIC ACIDA2DDE0.73
BHDBETA-HYDROXYASPARTIC ACIDC,L1XKA0.73
BHDBETA-HYDROXYASPARTIC ACIDA1ERM0.73
BHDBETA-HYDROXYASPARTIC ACIDL,P1AUT0.73
BHDBETA-HYDROXYASPARTIC ACIDA1WHF0.73
BHDBETA-HYDROXYASPARTIC ACIDL1PFX0.73
BHDBETA-HYDROXYASPARTIC ACIDA,B,C,D1XKB0.73
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.73
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.74
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J320.74
ASKDEHYDROXYMETHYLASPARTIC ACIDE,F1JXQ0.74
ASKDEHYDROXYMETHYLASPARTIC ACIDA,I2F4O0.74
ASKDEHYDROXYMETHYLASPARTIC ACIDA,I1X3Z0.74
ASKDEHYDROXYMETHYLASPARTIC ACIDI2CJX0.74
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J330.74
ASKDEHYDROXYMETHYLASPARTIC ACIDT,U,V,W,X,Y1QDU0.74
ASKDEHYDROXYMETHYLASPARTIC ACIDC,D1CP30.74
ASKDEHYDROXYMETHYLASPARTIC ACIDA,B,C,D,E,F1M720.74
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J300.74
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J310.74
ASKDEHYDROXYMETHYLASPARTIC ACIDI2CJY0.74
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1Q8H0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WV70.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2EC90.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,H,L,U2C4F0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2DPQ0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDL1PFX0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1Z6J0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1AG70.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDC,H,L,T2FIR0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1ONU0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2ZZU0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1W2K0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WTG0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1TGG0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,I,L,T2B8O0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1NL10.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WQV0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2PF20.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1WHE0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WUN0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L,T2AER0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1ONT0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1WCT0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,G1IOD0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1W0Y0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1AWY0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDC,H,L1DAN0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1VZM0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2AEI0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDG,L1NL00.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1AD70.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2ZP00.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1Q3M0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1J350.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1P0S0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1WHF0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2ZWL0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1CFI0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2O6N0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1MTQ0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L,T2A2Q0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1J340.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WSS0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C,D1LQV0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1MGX0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B2DPR0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2SPT0.72
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1NL20.72
AA42-AMINO-5-HYDROXYPENTANOIC ACIDB1MIK0.83
AA42-AMINO-5-HYDROXYPENTANOIC ACIDE,I1QR30.83
AKB2-AMINO-3-KETOBUTYRIC ACIDA,B1FC40.75
CAB4-CARBOXY-4-AMINOBUTANALA,B,M,N1FJM0.78
CAB4-CARBOXY-4-AMINOBUTANALC,I2IE30.78
CAB4-CARBOXY-4-AMINOBUTANALC,F,X,Y2NPP0.78
CAB4-CARBOXY-4-AMINOBUTANALA,B1DJO0.78
AVN(2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-
5-YL]ACETIC ACID		B,D2Z8K0.72
AVN(2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-
5-YL]ACETIC ACID		B,D3FNM0.72
AHBBETA-HYDROXYASPARAGINEA1DSR0.74
AHBBETA-HYDROXYASPARAGINEA,G1NT00.74
AHBBETA-HYDROXYASPARAGINEA2ZGD0.74
AHBBETA-HYDROXYASPARAGINEA,B2QC90.74
AHBBETA-HYDROXYASPARAGINEA2OG70.74
ABAALPHA-AMINOBUTYRIC ACIDA1A3P0.76
ABAALPHA-AMINOBUTYRIC ACIDA,S1RBD0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1ZII0.76
ABAALPHA-AMINOBUTYRIC ACIDM,N,O,P2ZSW0.76
ABAALPHA-AMINOBUTYRIC ACIDA1T9E0.76
ABAALPHA-AMINOBUTYRIC ACIDC,D2OJU0.76
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T		2RMA0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6M0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1H0.76
ABAALPHA-AMINOBUTYRIC ACIDA1CYA0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,D1MF80.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,D2J9K0.76
ABAALPHA-AMINOBUTYRIC ACIDD,E,F1XQ70.76
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P		1C5F0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,I8HVP0.76
ABAALPHA-AMINOBUTYRIC ACIDA1W9N0.76
ABAALPHA-AMINOBUTYRIC ACIDC1CWA0.76
ABAALPHA-AMINOBUTYRIC ACIDA1MQX0.76
ABAALPHA-AMINOBUTYRIC ACIDE,S1Z3L0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,C7HVP0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6J0.76
ABAALPHA-AMINOBUTYRIC ACIDC1IKF0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXS0.76
ABAALPHA-AMINOBUTYRIC ACIDA,M,N2Z6W0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4K0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,I4HVP0.76
ABAALPHA-AMINOBUTYRIC ACIDA2JUV0.76
ABAALPHA-AMINOBUTYRIC ACIDA1AJ10.76
ABAALPHA-AMINOBUTYRIC ACIDB3CYS0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLC0.76
ABAALPHA-AMINOBUTYRIC ACIDA1C2U0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,C2J9J0.76
ABAALPHA-AMINOBUTYRIC ACIDC1CWB0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F1QOW0.76
ABAALPHA-AMINOBUTYRIC ACIDD1QNG0.76
ABAALPHA-AMINOBUTYRIC ACIDA9JDW0.76
ABAALPHA-AMINOBUTYRIC ACIDA1CYB0.76
ABAALPHA-AMINOBUTYRIC ACIDA1WZ50.76
ABAALPHA-AMINOBUTYRIC ACIDA3HVP0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6P0.76
ABAALPHA-AMINOBUTYRIC ACIDC1CYN0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1MTR0.76
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H2RMC0.76
ABAALPHA-AMINOBUTYRIC ACIDA1BBO0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,D,E,F,H1M630.76
ABAALPHA-AMINOBUTYRIC ACIDE,F2ZOL0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXR0.76
ABAALPHA-AMINOBUTYRIC ACIDC1CWM0.76
ABAALPHA-AMINOBUTYRIC ACIDA1CSA0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4L0.76
ABAALPHA-AMINOBUTYRIC ACIDC1CWL0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1R0.76
ABAALPHA-AMINOBUTYRIC ACIDA,C,F,H2C5V0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F2ZSV0.76
ABAALPHA-AMINOBUTYRIC ACIDA,C,E,G,I,J,
K,L		2ZOK0.76
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T		2RMB0.76
ABAALPHA-AMINOBUTYRIC ACIDA1MQZ0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
I,J,K,L,M,N		2ESL0.76
ABAALPHA-AMINOBUTYRIC ACIDC1CWH0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
G,H		3BO70.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLD0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCR0.76
ABAALPHA-AMINOBUTYRIC ACIDA,I2O400.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1K090.76
ABAALPHA-AMINOBUTYRIC ACIDB1T1Q0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6K0.76
ABAALPHA-AMINOBUTYRIC ACIDA1MQY0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCK0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6L0.76
ABAALPHA-AMINOBUTYRIC ACIDA2DDE0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1CPI0.76
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1ZIJ0.76
ABAALPHA-AMINOBUTYRIC ACIDA1BAH0.76
ABAALPHA-AMINOBUTYRIC ACIDC,D1QNH0.76
ABAALPHA-AMINOBUTYRIC ACIDT,U,V2POY0.76
BG1O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-
L-serine		A2RG30.72
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.73
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.72
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.72
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.72
4TP4-HYDROXY-L-THREONINE-5-MONOPHOSPHATEA,B1PS60.72