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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03915348

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
AS2(2R)-2-AMINO-4-OXOBUTANOIC ACIDA,B,C,D2GZ30.7
ALOALLO-THREONINEI,P1HDT0.73
ALOALLO-THREONINEA2JUU0.73
ALOALLO-THREONINEA2VMX0.73
DALD-ALANINET,U,V2POY0.78
DALD-ALANINEC1CWI0.78
DALD-ALANINEC,D1QNH0.78
DALD-ALANINEA1CYA0.78
DALD-ALANINEI1HBT0.78
DALD-ALANINEA,B1XOF0.78
DALD-ALANINEA1XT70.78
DALD-ALANINEA2DDE0.78
DALD-ALANINEA,B2Q330.78
DALD-ALANINEA,B,C,D1ZMI0.78
DALD-ALANINEA,B,C,D1SN90.78
DALD-ALANINEA,B,C,D2R3C0.78
DALD-ALANINEC,F,M,N2IAE0.78
DALD-ALANINEA1W9N0.78
DALD-ALANINEC,F,X,Y2NPP0.78
DALD-ALANINEE,S148L0.78
DALD-ALANINEA,B,C,D,E,F1FVM0.78
DALD-ALANINEC1IKF0.78
DALD-ALANINEA1T5N0.78
DALD-ALANINEA,B,C,D1ZMH0.78
DALD-ALANINEC1CWM0.78
DALD-ALANINEC1CWC0.78
DALD-ALANINEA1EVB0.78
DALD-ALANINEB,D,F,H2RMC0.78
DALD-ALANINEA,B,C2YZM0.78
DALD-ALANINEA,B,D,E,F,H1M630.78
DALD-ALANINEC1CWL0.78
DALD-ALANINEB1BZV0.78
DALD-ALANINEA1CSA0.78
DALD-ALANINEA,B,N,P1HHY0.78
DALD-ALANINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,S
1GO60.78
DALD-ALANINEB1MIK0.78
DALD-ALANINED1QNG0.78
DALD-ALANINEA1CYB0.78
DALD-ALANINEA,B,C,D2ZDH0.78
DALD-ALANINEC1CWB0.78
DALD-ALANINEL,N1WCO0.78
DALD-ALANINEC1CWK0.78
DALD-ALANINEA,B,C,H,K,L2R5B0.78
DALD-ALANINEC1CYN0.78
DALD-ALANINEA1QTE0.78
DALD-ALANINEC,F,G,H3DW80.78
DALD-ALANINEA,B2GYP0.78
DALD-ALANINEA,B,C,D,E,F,
G,H
2NYL0.78
DALD-ALANINEA,B,C,D,E,F,
G,H
3BO70.78
DALD-ALANINED1PEK0.78
DALD-ALANINEA,B2J9P0.78
DALD-ALANINEA3DHV0.78
DALD-ALANINEA,B,C,H,K,L2R5D0.78
DALD-ALANINEC1CWH0.78
DALD-ALANINEA1C4B0.78
DALD-ALANINEA,B,C,D3BOG0.78
DALD-ALANINEC2IH10.78
DALD-ALANINEA1T5M0.78
DALD-ALANINEA,B2ZDQ0.78
DALD-ALANINEA1IC90.78
DALD-ALANINEB1VBS0.78
DALD-ALANINEB,D,F,H,J,L,
N,P,R,T
2RMB0.78
DALD-ALANINEA1ICL0.78
DALD-ALANINEA,D2Q3I0.78
DALD-ALANINEC,I2IE30.78
DALD-ALANINEA,B1ZMK0.78
DALD-ALANINEB2K9R0.78
DALD-ALANINEA,B,M,N1FJM0.78
DALD-ALANINEA,B1SNE0.78
DALD-ALANINEB,C3BV90.78
DALD-ALANINEA2HVF0.78
DALD-ALANINEL2EAX0.78
DALD-ALANINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.78
DALD-ALANINEA,B,C,D,E,M1HHU0.78
DALD-ALANINEA,B,C,D1SNA0.78
DALD-ALANINEC1BCK0.78
DALD-ALANINEA1IKI0.78
DALD-ALANINEA,B,D1MF80.78
DALD-ALANINEA,B,C,D2APH0.78
DALD-ALANINEC1CWJ0.78
DALD-ALANINEA1ICO0.78
DALD-ALANINEC,D2OJU0.78
DALD-ALANINEB,D,F,H,J,L,
N,P,R,T
2RMA0.78
DALD-ALANINEA1C0P0.78
DALD-ALANINEA1BFW0.78
DALD-ALANINEA1AJ10.78
DALD-ALANINEA1KTO0.78
DALD-ALANINEA,D1CZQ0.78
DALD-ALANINEB3CYS0.78
DALD-ALANINEC1CWA0.78
DALD-ALANINEC1CWF0.78
DALD-ALANINEA,B1P4N0.78
DALD-ALANINED,E,F1XQ70.78
DALD-ALANINEB,D,F,H,J,L,
N,P
1C5F0.78
DALD-ALANINEC2IH30.78
DALD-ALANINEA,M,N2Z6W0.78
DALD-ALANINEA1EVA0.78
DALD-ALANINEA1LCM0.78
DALD-ALANINEU2AIZ0.78
DALD-ALANINEA,B,C,D,E,F,
G,H
2NYM0.78
ASIL-ISO-ASPARTATEA1EJC0.72
ASIL-ISO-ASPARTATEA,B1EJD0.72
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.72
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.72
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.72
ASIL-ISO-ASPARTATEA,B,C,D1JG30.72
ASIL-ISO-ASPARTATEA,B1DLG0.72
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.72
ASIL-ISO-ASPARTATEA1EYN0.72
ASIL-ISO-ASPARTATEA2JV00.72
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.72
CSESELENOCYSTEINEA,B3FWF0.75
CSESELENOCYSTEINEA,B,K,L1H0H0.75
CSESELENOCYSTEINEA,B,C,D,E,F3EAN0.75
CSESELENOCYSTEINEX2IV20.75
CSESELENOCYSTEINEA1AA60.75
CSESELENOCYSTEINEA1FDO0.75
CSESELENOCYSTEINEA,B,C1KQG0.75
CSESELENOCYSTEINEA3FWI0.75
CSESELENOCYSTEINEA,B,C1KQF0.75
CSESELENOCYSTEINEA1KMK0.75
CSESELENOCYSTEINEX1PAE0.75
CSESELENOCYSTEINEA1PFP0.75
CSESELENOCYSTEINEL,S1CC10.75
CSESELENOCYSTEINEA,B,C,D,E,F3EAO0.75
CSESELENOCYSTEINEA1FDI0.75
CSESELENOCYSTEINEA3FWJ0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.73
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.71
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.71
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.72
CANCANALINEA,B,C2CAN0.76
AKB2-AMINO-3-KETOBUTYRIC ACIDA,B1FC40.73
0AAmethyl L-valinateI1HEF0.77
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.73
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.73
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.73
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.73
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.73
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.73
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.73
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.73
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C2OXJ0.79
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C3HEZ0.79
B3A(3S)-3-AMINOBUTANOIC ACIDA2OXK0.79
ABAALPHA-AMINOBUTYRIC ACIDA1A3P0.88
ABAALPHA-AMINOBUTYRIC ACIDA,S1RBD0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1ZII0.88
ABAALPHA-AMINOBUTYRIC ACIDM,N,O,P2ZSW0.88
ABAALPHA-AMINOBUTYRIC ACIDA1T9E0.88
ABAALPHA-AMINOBUTYRIC ACIDC,D2OJU0.88
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMA0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6M0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1H0.88
ABAALPHA-AMINOBUTYRIC ACIDA1CYA0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,D1MF80.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,D2J9K0.88
ABAALPHA-AMINOBUTYRIC ACIDD,E,F1XQ70.88
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P
1C5F0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,I8HVP0.88
ABAALPHA-AMINOBUTYRIC ACIDA1W9N0.88
ABAALPHA-AMINOBUTYRIC ACIDC1CWA0.88
ABAALPHA-AMINOBUTYRIC ACIDA1MQX0.88
ABAALPHA-AMINOBUTYRIC ACIDE,S1Z3L0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,C7HVP0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6J0.88
ABAALPHA-AMINOBUTYRIC ACIDC1IKF0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXS0.88
ABAALPHA-AMINOBUTYRIC ACIDA,M,N2Z6W0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4K0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,I4HVP0.88
ABAALPHA-AMINOBUTYRIC ACIDA2JUV0.88
ABAALPHA-AMINOBUTYRIC ACIDA1AJ10.88
ABAALPHA-AMINOBUTYRIC ACIDB3CYS0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLC0.88
ABAALPHA-AMINOBUTYRIC ACIDA1C2U0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,C2J9J0.88
ABAALPHA-AMINOBUTYRIC ACIDC1CWB0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F1QOW0.88
ABAALPHA-AMINOBUTYRIC ACIDD1QNG0.88
ABAALPHA-AMINOBUTYRIC ACIDA9JDW0.88
ABAALPHA-AMINOBUTYRIC ACIDA1CYB0.88
ABAALPHA-AMINOBUTYRIC ACIDA1WZ50.88
ABAALPHA-AMINOBUTYRIC ACIDA3HVP0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6P0.88
ABAALPHA-AMINOBUTYRIC ACIDC1CYN0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1MTR0.88
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H2RMC0.88
ABAALPHA-AMINOBUTYRIC ACIDA1BBO0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,D,E,F,H1M630.88
ABAALPHA-AMINOBUTYRIC ACIDE,F2ZOL0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXR0.88
ABAALPHA-AMINOBUTYRIC ACIDC1CWM0.88
ABAALPHA-AMINOBUTYRIC ACIDA1CSA0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4L0.88
ABAALPHA-AMINOBUTYRIC ACIDC1CWL0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1R0.88
ABAALPHA-AMINOBUTYRIC ACIDA,C,F,H2C5V0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F2ZSV0.88
ABAALPHA-AMINOBUTYRIC ACIDA,C,E,G,I,J,
K,L
2ZOK0.88
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMB0.88
ABAALPHA-AMINOBUTYRIC ACIDA1MQZ0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.88
ABAALPHA-AMINOBUTYRIC ACIDC1CWH0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
G,H
3BO70.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLD0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCR0.88
ABAALPHA-AMINOBUTYRIC ACIDA,I2O400.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1K090.88
ABAALPHA-AMINOBUTYRIC ACIDB1T1Q0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6K0.88
ABAALPHA-AMINOBUTYRIC ACIDA1MQY0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCK0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6L0.88
ABAALPHA-AMINOBUTYRIC ACIDA2DDE0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1CPI0.88
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1ZIJ0.88
ABAALPHA-AMINOBUTYRIC ACIDA1BAH0.88
ABAALPHA-AMINOBUTYRIC ACIDC,D1QNH0.88
ABAALPHA-AMINOBUTYRIC ACIDT,U,V2POY0.88
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.71
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.71
ACB3-METHYL-ASPARTIC ACIDA1EVD0.71
ACB3-METHYL-ASPARTIC ACIDA1EVB0.71
ACB3-METHYL-ASPARTIC ACIDA1EVA0.71
ACB3-METHYL-ASPARTIC ACIDA1LCM0.71
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.71
ACB3-METHYL-ASPARTIC ACIDA1AY30.71
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.71
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.71
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.71
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.71
ACB3-METHYL-ASPARTIC ACIDA1EVC0.71
DASD-ASPARTIC ACIDA1BFW0.72
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.72
DASD-ASPARTIC ACIDA1KS70.72
DASD-ASPARTIC ACIDA1C4B0.72
DASD-ASPARTIC ACIDA,B,C,D3BOG0.72
DASD-ASPARTIC ACIDA,L1ZEA0.72
DASD-ASPARTIC ACIDA,B,C,D1HG10.72
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.72
DASD-ASPARTIC ACIDA,B2Q330.72
DASD-ASPARTIC ACIDE1AN10.72
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D1J730.76
DAB2,4-DIAMINOBUTYRIC ACIDA1JDK0.76
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D3D3S0.76
DAB2,4-DIAMINOBUTYRIC ACIDA,B3DS90.76
DAB2,4-DIAMINOBUTYRIC ACIDA1J9V0.76
DAB2,4-DIAMINOBUTYRIC ACIDA2PM10.76
DAB2,4-DIAMINOBUTYRIC ACIDA1JAR0.76
DAB2,4-DIAMINOBUTYRIC ACIDA,B1B4H0.76
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.73
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.73
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.73
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.73
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.73
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.73
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.73
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.73
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.73
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.73
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.73
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.7
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.7
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.7