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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011808

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
152CARNITINEA,B1NDF0.7
152CARNITINEA,B1T7Q0.7
152CARNITINEA,B1XL80.7
152CARNITINEA,B2H3U0.7
152CARNITINEA1S5O0.7
152CARNITINEA1T7O0.7
152CARNITINEA,B2H3P0.7
BHDBETA-HYDROXYASPARTIC ACIDA1WHE0.78
BHDBETA-HYDROXYASPARTIC ACIDA2DDE0.78
BHDBETA-HYDROXYASPARTIC ACIDC,L1XKA0.78
BHDBETA-HYDROXYASPARTIC ACIDA1ERM0.78
BHDBETA-HYDROXYASPARTIC ACIDL,P1AUT0.78
BHDBETA-HYDROXYASPARTIC ACIDA1WHF0.78
BHDBETA-HYDROXYASPARTIC ACIDL1PFX0.78
BHDBETA-HYDROXYASPARTIC ACIDA,B,C,D1XKB0.78
AEITHREONINE-ASPARTIC ESTERA,B,C,D4ECA0.76
0AHO-(bromoacetyl)-L-serineA,B1PTH0.72
AKB2-AMINO-3-KETOBUTYRIC ACIDA,B1FC40.81
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C2OXJ0.74
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C3HEZ0.74
B3A(3S)-3-AMINOBUTANOIC ACIDA2OXK0.74
AHBBETA-HYDROXYASPARAGINEA1DSR0.76
AHBBETA-HYDROXYASPARAGINEA,G1NT00.76
AHBBETA-HYDROXYASPARAGINEA2ZGD0.76
AHBBETA-HYDROXYASPARAGINEA,B2QC90.76
AHBBETA-HYDROXYASPARAGINEA2OG70.76
ALOALLO-THREONINEI,P1HDT1
ALOALLO-THREONINEA2JUU1
ALOALLO-THREONINEA2VMX1
AS2(2R)-2-AMINO-4-OXOBUTANOIC ACIDA,B,C,D2GZ30.74
CANCANALINEA,B,C2CAN0.76
CAB4-CARBOXY-4-AMINOBUTANALA,B,M,N1FJM0.7
CAB4-CARBOXY-4-AMINOBUTANALC,I2IE30.7
CAB4-CARBOXY-4-AMINOBUTANALC,F,X,Y2NPP0.7
CAB4-CARBOXY-4-AMINOBUTANALA,B1DJO0.7
0AAmethyl L-valinateI1HEF0.7
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.71
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.71
ASAASPARTIC ALDEHYDEE,F2QLF0.71
ASAASPARTIC ALDEHYDEC3H110.71
ASAASPARTIC ALDEHYDED,E,F2QL90.71
ASAASPARTIC ALDEHYDEC2H5I0.71
ASAASPARTIC ALDEHYDEE,F2H650.71
ASAASPARTIC ALDEHYDEA,B1IAU0.71
ASAASPARTIC ALDEHYDEA,E,F2QLJ0.71
ASAASPARTIC ALDEHYDEE,F2H5J0.71
ASAASPARTIC ALDEHYDED,E,F2QL50.71
ASAASPARTIC ALDEHYDED,E,F2QL70.71
ASAASPARTIC ALDEHYDEE,F3EDR0.71
ASAASPARTIC ALDEHYDEA,B,C1QTN0.71
ASAASPARTIC ALDEHYDED,E,F2QLB0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.7
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.7
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.7
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.7
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.7
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.7
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.7
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.7
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.73
ABAALPHA-AMINOBUTYRIC ACIDA1A3P0.82
ABAALPHA-AMINOBUTYRIC ACIDA,S1RBD0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1ZII0.82
ABAALPHA-AMINOBUTYRIC ACIDM,N,O,P2ZSW0.82
ABAALPHA-AMINOBUTYRIC ACIDA1T9E0.82
ABAALPHA-AMINOBUTYRIC ACIDC,D2OJU0.82
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMA0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6M0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1H0.82
ABAALPHA-AMINOBUTYRIC ACIDA1CYA0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,D1MF80.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,D2J9K0.82
ABAALPHA-AMINOBUTYRIC ACIDD,E,F1XQ70.82
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P
1C5F0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,I8HVP0.82
ABAALPHA-AMINOBUTYRIC ACIDA1W9N0.82
ABAALPHA-AMINOBUTYRIC ACIDC1CWA0.82
ABAALPHA-AMINOBUTYRIC ACIDA1MQX0.82
ABAALPHA-AMINOBUTYRIC ACIDE,S1Z3L0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,C7HVP0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6J0.82
ABAALPHA-AMINOBUTYRIC ACIDC1IKF0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXS0.82
ABAALPHA-AMINOBUTYRIC ACIDA,M,N2Z6W0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4K0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,I4HVP0.82
ABAALPHA-AMINOBUTYRIC ACIDA2JUV0.82
ABAALPHA-AMINOBUTYRIC ACIDA1AJ10.82
ABAALPHA-AMINOBUTYRIC ACIDB3CYS0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLC0.82
ABAALPHA-AMINOBUTYRIC ACIDA1C2U0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,C2J9J0.82
ABAALPHA-AMINOBUTYRIC ACIDC1CWB0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F1QOW0.82
ABAALPHA-AMINOBUTYRIC ACIDD1QNG0.82
ABAALPHA-AMINOBUTYRIC ACIDA9JDW0.82
ABAALPHA-AMINOBUTYRIC ACIDA1CYB0.82
ABAALPHA-AMINOBUTYRIC ACIDA1WZ50.82
ABAALPHA-AMINOBUTYRIC ACIDA3HVP0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6P0.82
ABAALPHA-AMINOBUTYRIC ACIDC1CYN0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1MTR0.82
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H2RMC0.82
ABAALPHA-AMINOBUTYRIC ACIDA1BBO0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,D,E,F,H1M630.82
ABAALPHA-AMINOBUTYRIC ACIDE,F2ZOL0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXR0.82
ABAALPHA-AMINOBUTYRIC ACIDC1CWM0.82
ABAALPHA-AMINOBUTYRIC ACIDA1CSA0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4L0.82
ABAALPHA-AMINOBUTYRIC ACIDC1CWL0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1R0.82
ABAALPHA-AMINOBUTYRIC ACIDA,C,F,H2C5V0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F2ZSV0.82
ABAALPHA-AMINOBUTYRIC ACIDA,C,E,G,I,J,
K,L
2ZOK0.82
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMB0.82
ABAALPHA-AMINOBUTYRIC ACIDA1MQZ0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.82
ABAALPHA-AMINOBUTYRIC ACIDC1CWH0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
G,H
3BO70.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLD0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCR0.82
ABAALPHA-AMINOBUTYRIC ACIDA,I2O400.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1K090.82
ABAALPHA-AMINOBUTYRIC ACIDB1T1Q0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6K0.82
ABAALPHA-AMINOBUTYRIC ACIDA1MQY0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCK0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6L0.82
ABAALPHA-AMINOBUTYRIC ACIDA2DDE0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1CPI0.82
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1ZIJ0.82
ABAALPHA-AMINOBUTYRIC ACIDA1BAH0.82
ABAALPHA-AMINOBUTYRIC ACIDC,D1QNH0.82
ABAALPHA-AMINOBUTYRIC ACIDT,U,V2POY0.82
AA42-AMINO-5-HYDROXYPENTANOIC ACIDB1MIK0.75
AA42-AMINO-5-HYDROXYPENTANOIC ACIDE,I1QR30.75
4TP4-HYDROXY-L-THREONINE-5-MONOPHOSPHATEA,B1PS60.77
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.78
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.78
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.78