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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03463596

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CANCANALINEA,B,C2CAN0.7
DALD-ALANINET,U,V2POY0.75
DALD-ALANINEC1CWI0.75
DALD-ALANINEC,D1QNH0.75
DALD-ALANINEA1CYA0.75
DALD-ALANINEI1HBT0.75
DALD-ALANINEA,B1XOF0.75
DALD-ALANINEA1XT70.75
DALD-ALANINEA2DDE0.75
DALD-ALANINEA,B2Q330.75
DALD-ALANINEA,B,C,D1ZMI0.75
DALD-ALANINEA,B,C,D1SN90.75
DALD-ALANINEA,B,C,D2R3C0.75
DALD-ALANINEC,F,M,N2IAE0.75
DALD-ALANINEA1W9N0.75
DALD-ALANINEC,F,X,Y2NPP0.75
DALD-ALANINEE,S148L0.75
DALD-ALANINEA,B,C,D,E,F1FVM0.75
DALD-ALANINEC1IKF0.75
DALD-ALANINEA1T5N0.75
DALD-ALANINEA,B,C,D1ZMH0.75
DALD-ALANINEC1CWM0.75
DALD-ALANINEC1CWC0.75
DALD-ALANINEA1EVB0.75
DALD-ALANINEB,D,F,H2RMC0.75
DALD-ALANINEA,B,C2YZM0.75
DALD-ALANINEA,B,D,E,F,H1M630.75
DALD-ALANINEC1CWL0.75
DALD-ALANINEB1BZV0.75
DALD-ALANINEA1CSA0.75
DALD-ALANINEA,B,N,P1HHY0.75
DALD-ALANINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,S
1GO60.75
DALD-ALANINEB1MIK0.75
DALD-ALANINED1QNG0.75
DALD-ALANINEA1CYB0.75
DALD-ALANINEA,B,C,D2ZDH0.75
DALD-ALANINEC1CWB0.75
DALD-ALANINEL,N1WCO0.75
DALD-ALANINEC1CWK0.75
DALD-ALANINEA,B,C,H,K,L2R5B0.75
DALD-ALANINEC1CYN0.75
DALD-ALANINEA1QTE0.75
DALD-ALANINEC,F,G,H3DW80.75
DALD-ALANINEA,B2GYP0.75
DALD-ALANINEA,B,C,D,E,F,
G,H
2NYL0.75
DALD-ALANINEA,B,C,D,E,F,
G,H
3BO70.75
DALD-ALANINED1PEK0.75
DALD-ALANINEA,B2J9P0.75
DALD-ALANINEA3DHV0.75
DALD-ALANINEA,B,C,H,K,L2R5D0.75
DALD-ALANINEC1CWH0.75
DALD-ALANINEA1C4B0.75
DALD-ALANINEA,B,C,D3BOG0.75
DALD-ALANINEC2IH10.75
DALD-ALANINEA1T5M0.75
DALD-ALANINEA,B2ZDQ0.75
DALD-ALANINEA1IC90.75
DALD-ALANINEB1VBS0.75
DALD-ALANINEB,D,F,H,J,L,
N,P,R,T
2RMB0.75
DALD-ALANINEA1ICL0.75
DALD-ALANINEA,D2Q3I0.75
DALD-ALANINEC,I2IE30.75
DALD-ALANINEA,B1ZMK0.75
DALD-ALANINEB2K9R0.75
DALD-ALANINEA,B,M,N1FJM0.75
DALD-ALANINEA,B1SNE0.75
DALD-ALANINEB,C3BV90.75
DALD-ALANINEA2HVF0.75
DALD-ALANINEL2EAX0.75
DALD-ALANINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.75
DALD-ALANINEA,B,C,D,E,M1HHU0.75
DALD-ALANINEA,B,C,D1SNA0.75
DALD-ALANINEC1BCK0.75
DALD-ALANINEA1IKI0.75
DALD-ALANINEA,B,D1MF80.75
DALD-ALANINEA,B,C,D2APH0.75
DALD-ALANINEC1CWJ0.75
DALD-ALANINEA1ICO0.75
DALD-ALANINEC,D2OJU0.75
DALD-ALANINEB,D,F,H,J,L,
N,P,R,T
2RMA0.75
DALD-ALANINEA1C0P0.75
DALD-ALANINEA1BFW0.75
DALD-ALANINEA1AJ10.75
DALD-ALANINEA1KTO0.75
DALD-ALANINEA,D1CZQ0.75
DALD-ALANINEB3CYS0.75
DALD-ALANINEC1CWA0.75
DALD-ALANINEC1CWF0.75
DALD-ALANINEA,B1P4N0.75
DALD-ALANINED,E,F1XQ70.75
DALD-ALANINEB,D,F,H,J,L,
N,P
1C5F0.75
DALD-ALANINEC2IH30.75
DALD-ALANINEA,M,N2Z6W0.75
DALD-ALANINEA1EVA0.75
DALD-ALANINEA1LCM0.75
DALD-ALANINEU2AIZ0.75
DALD-ALANINEA,B,C,D,E,F,
G,H
2NYM0.75
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.8
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.71
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.71
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.71
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D1J730.73
DAB2,4-DIAMINOBUTYRIC ACIDA1JDK0.73
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D3D3S0.73
DAB2,4-DIAMINOBUTYRIC ACIDA,B3DS90.73
DAB2,4-DIAMINOBUTYRIC ACIDA1J9V0.73
DAB2,4-DIAMINOBUTYRIC ACIDA2PM10.73
DAB2,4-DIAMINOBUTYRIC ACIDA1JAR0.73
DAB2,4-DIAMINOBUTYRIC ACIDA,B1B4H0.73
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.71
2ML2-METHYLLEUCINEA,B,C1I1L0.72
2ML2-METHYLLEUCINEA2RM90.72
2ML2-METHYLLEUCINEA2RMD0.72
AKB2-AMINO-3-KETOBUTYRIC ACIDA,B1FC40.71
ABAALPHA-AMINOBUTYRIC ACIDA1A3P0.85
ABAALPHA-AMINOBUTYRIC ACIDA,S1RBD0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1ZII0.85
ABAALPHA-AMINOBUTYRIC ACIDM,N,O,P2ZSW0.85
ABAALPHA-AMINOBUTYRIC ACIDA1T9E0.85
ABAALPHA-AMINOBUTYRIC ACIDC,D2OJU0.85
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMA0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6M0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1H0.85
ABAALPHA-AMINOBUTYRIC ACIDA1CYA0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,D1MF80.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,D2J9K0.85
ABAALPHA-AMINOBUTYRIC ACIDD,E,F1XQ70.85
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P
1C5F0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,I8HVP0.85
ABAALPHA-AMINOBUTYRIC ACIDA1W9N0.85
ABAALPHA-AMINOBUTYRIC ACIDC1CWA0.85
ABAALPHA-AMINOBUTYRIC ACIDA1MQX0.85
ABAALPHA-AMINOBUTYRIC ACIDE,S1Z3L0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,C7HVP0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6J0.85
ABAALPHA-AMINOBUTYRIC ACIDC1IKF0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXS0.85
ABAALPHA-AMINOBUTYRIC ACIDA,M,N2Z6W0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4K0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,I4HVP0.85
ABAALPHA-AMINOBUTYRIC ACIDA2JUV0.85
ABAALPHA-AMINOBUTYRIC ACIDA1AJ10.85
ABAALPHA-AMINOBUTYRIC ACIDB3CYS0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLC0.85
ABAALPHA-AMINOBUTYRIC ACIDA1C2U0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,C2J9J0.85
ABAALPHA-AMINOBUTYRIC ACIDC1CWB0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F1QOW0.85
ABAALPHA-AMINOBUTYRIC ACIDD1QNG0.85
ABAALPHA-AMINOBUTYRIC ACIDA9JDW0.85
ABAALPHA-AMINOBUTYRIC ACIDA1CYB0.85
ABAALPHA-AMINOBUTYRIC ACIDA1WZ50.85
ABAALPHA-AMINOBUTYRIC ACIDA3HVP0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6P0.85
ABAALPHA-AMINOBUTYRIC ACIDC1CYN0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1MTR0.85
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H2RMC0.85
ABAALPHA-AMINOBUTYRIC ACIDA1BBO0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,D,E,F,H1M630.85
ABAALPHA-AMINOBUTYRIC ACIDE,F2ZOL0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXR0.85
ABAALPHA-AMINOBUTYRIC ACIDC1CWM0.85
ABAALPHA-AMINOBUTYRIC ACIDA1CSA0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4L0.85
ABAALPHA-AMINOBUTYRIC ACIDC1CWL0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1R0.85
ABAALPHA-AMINOBUTYRIC ACIDA,C,F,H2C5V0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F2ZSV0.85
ABAALPHA-AMINOBUTYRIC ACIDA,C,E,G,I,J,
K,L
2ZOK0.85
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMB0.85
ABAALPHA-AMINOBUTYRIC ACIDA1MQZ0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.85
ABAALPHA-AMINOBUTYRIC ACIDC1CWH0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
G,H
3BO70.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLD0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCR0.85
ABAALPHA-AMINOBUTYRIC ACIDA,I2O400.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1K090.85
ABAALPHA-AMINOBUTYRIC ACIDB1T1Q0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6K0.85
ABAALPHA-AMINOBUTYRIC ACIDA1MQY0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCK0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6L0.85
ABAALPHA-AMINOBUTYRIC ACIDA2DDE0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1CPI0.85
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1ZIJ0.85
ABAALPHA-AMINOBUTYRIC ACIDA1BAH0.85
ABAALPHA-AMINOBUTYRIC ACIDC,D1QNH0.85
ABAALPHA-AMINOBUTYRIC ACIDT,U,V2POY0.85
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.8
CSESELENOCYSTEINEA,B3FWF0.73
CSESELENOCYSTEINEA,B,K,L1H0H0.73
CSESELENOCYSTEINEA,B,C,D,E,F3EAN0.73
CSESELENOCYSTEINEX2IV20.73
CSESELENOCYSTEINEA1AA60.73
CSESELENOCYSTEINEA1FDO0.73
CSESELENOCYSTEINEA,B,C1KQG0.73
CSESELENOCYSTEINEA3FWI0.73
CSESELENOCYSTEINEA,B,C1KQF0.73
CSESELENOCYSTEINEA1KMK0.73
CSESELENOCYSTEINEX1PAE0.73
CSESELENOCYSTEINEA1PFP0.73
CSESELENOCYSTEINEL,S1CC10.73
CSESELENOCYSTEINEA,B,C,D,E,F3EAO0.73
CSESELENOCYSTEINEA1FDI0.73
CSESELENOCYSTEINEA3FWJ0.73
DBBD-ALPHA-AMINOBUTYRIC ACIDL,N1WCO0.85
DBBD-ALPHA-AMINOBUTYRIC ACIDC1CWC0.85
DBBD-ALPHA-AMINOBUTYRIC ACIDE,I1QR30.85
DBBD-ALPHA-AMINOBUTYRIC ACIDA,F,L,S2D7F0.85
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.71
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C2OXJ0.76
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C3HEZ0.76
B3A(3S)-3-AMINOBUTANOIC ACIDA2OXK0.76
BIU5-bromo-L-isoleucineA3EDS0.74
0AAmethyl L-valinateI1HEF0.93
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.8
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.8
ACB3-METHYL-ASPARTIC ACIDA1EVD0.8
ACB3-METHYL-ASPARTIC ACIDA1EVB0.8
ACB3-METHYL-ASPARTIC ACIDA1EVA0.8
ACB3-METHYL-ASPARTIC ACIDA1LCM0.8
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.8
ACB3-METHYL-ASPARTIC ACIDA1AY30.8
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.8
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.8
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.8
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.8
ACB3-METHYL-ASPARTIC ACIDA1EVC0.8
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1OB60.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1FVN0.71
AIBALPHA-AMINOISOBUTYRIC ACIDH,I4THN0.71
AIBALPHA-AMINOISOBUTYRIC ACIDA3CMH0.71
AIBALPHA-AMINOISOBUTYRIC ACIDA6CMH0.71
AIBALPHA-AMINOISOBUTYRIC ACIDA,B,C1AMT0.71
AIBALPHA-AMINOISOBUTYRIC ACIDP1F580.71
AIBALPHA-AMINOISOBUTYRIC ACIDP,Q,R,S2FX80.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1GQ00.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1R9U0.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1OB70.71
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1FEV0.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1DLZ0.71
AIBALPHA-AMINOISOBUTYRIC ACIDB2GV20.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1IH90.71
AIBALPHA-AMINOISOBUTYRIC ACIDL3FE70.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1GO90.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1GOE0.71
AIBALPHA-AMINOISOBUTYRIC ACIDA,L,M3FEA0.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1OB40.71
AIBALPHA-AMINOISOBUTYRIC ACIDH,I5GDS0.71
AIBALPHA-AMINOISOBUTYRIC ACIDE,I1QR30.71
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1JOH0.71
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1M240.71
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1V6D0.71
AIBALPHA-AMINOISOBUTYRIC ACIDA,B,C,D,F,Q1EFR0.71
AIBALPHA-AMINOISOBUTYRIC ACIDP1AI10.71
AIBALPHA-AMINOISOBUTYRIC ACIDA1EE70.71
ALOALLO-THREONINEI,P1HDT0.71
ALOALLO-THREONINEA2JUU0.71
ALOALLO-THREONINEA2VMX0.71
BIBBETA-AMINO ISOBUTYRATEA,B1R430.77
BIBBETA-AMINO ISOBUTYRATEA,B,C,D,E,F,
G,H
1R3N0.77