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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022693

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBBD-ALPHA-AMINOBUTYRIC ACIDL,N1WCO0.8
DBBD-ALPHA-AMINOBUTYRIC ACIDC1CWC0.8
DBBD-ALPHA-AMINOBUTYRIC ACIDE,I1QR30.8
DBBD-ALPHA-AMINOBUTYRIC ACIDA,F,L,S2D7F0.8
DNP3-AMINO-ALANINEA1BEI0.71
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.73
DPPDIAMMINOPROPANOIC ACIDA,B1B5H0.71
0AAmethyl L-valinateI1HEF0.88
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.74
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1OB60.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1FVN0.7
AIBALPHA-AMINOISOBUTYRIC ACIDH,I4THN0.7
AIBALPHA-AMINOISOBUTYRIC ACIDA3CMH0.7
AIBALPHA-AMINOISOBUTYRIC ACIDA6CMH0.7
AIBALPHA-AMINOISOBUTYRIC ACIDA,B,C1AMT0.7
AIBALPHA-AMINOISOBUTYRIC ACIDP1F580.7
AIBALPHA-AMINOISOBUTYRIC ACIDP,Q,R,S2FX80.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1GQ00.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1R9U0.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1OB70.7
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1FEV0.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1DLZ0.7
AIBALPHA-AMINOISOBUTYRIC ACIDB2GV20.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1IH90.7
AIBALPHA-AMINOISOBUTYRIC ACIDL3FE70.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1GO90.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1GOE0.7
AIBALPHA-AMINOISOBUTYRIC ACIDA,L,M3FEA0.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1OB40.7
AIBALPHA-AMINOISOBUTYRIC ACIDH,I5GDS0.7
AIBALPHA-AMINOISOBUTYRIC ACIDE,I1QR30.7
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1JOH0.7
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1M240.7
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1V6D0.7
AIBALPHA-AMINOISOBUTYRIC ACIDA,B,C,D,F,Q1EFR0.7
AIBALPHA-AMINOISOBUTYRIC ACIDP1AI10.7
AIBALPHA-AMINOISOBUTYRIC ACIDA1EE70.7
ALOALLO-THREONINEI,P1HDT0.7
ALOALLO-THREONINEA2JUU0.7
ALOALLO-THREONINEA2VMX0.7
C2NB-CHLORO-D-ALANINEA,B,C,D1TZM0.71
CSESELENOCYSTEINEA,B3FWF0.76
CSESELENOCYSTEINEA,B,K,L1H0H0.76
CSESELENOCYSTEINEA,B,C,D,E,F3EAN0.76
CSESELENOCYSTEINEX2IV20.76
CSESELENOCYSTEINEA1AA60.76
CSESELENOCYSTEINEA1FDO0.76
CSESELENOCYSTEINEA,B,C1KQG0.76
CSESELENOCYSTEINEA3FWI0.76
CSESELENOCYSTEINEA,B,C1KQF0.76
CSESELENOCYSTEINEA1KMK0.76
CSESELENOCYSTEINEX1PAE0.76
CSESELENOCYSTEINEA1PFP0.76
CSESELENOCYSTEINEL,S1CC10.76
CSESELENOCYSTEINEA,B,C,D,E,F3EAO0.76
CSESELENOCYSTEINEA1FDI0.76
CSESELENOCYSTEINEA3FWJ0.76
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C2OXJ0.71
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C3HEZ0.71
B3A(3S)-3-AMINOBUTANOIC ACIDA2OXK0.71
CMTO-METHYLCYSTEINEG1OMW0.85
CMTO-METHYLCYSTEINEA,G3CIK0.85
CMTO-METHYLCYSTEINEA1DOA0.85
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.74
DTHD-THREONINEA1KRO0.7
DTHD-THREONINEA,B,C,D3BOG0.7
DTHD-THREONINEA,B173D0.7
DTHD-THREONINEA209D0.7
DTHD-THREONINEA316D0.7
DTHD-THREONINEA,B2Q330.7
DTHD-THREONINEA2JUE0.7
DTHD-THREONINEA2D550.7
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.74
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.74
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.74
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.74
ABAALPHA-AMINOBUTYRIC ACIDA1A3P0.8
ABAALPHA-AMINOBUTYRIC ACIDA,S1RBD0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1ZII0.8
ABAALPHA-AMINOBUTYRIC ACIDM,N,O,P2ZSW0.8
ABAALPHA-AMINOBUTYRIC ACIDA1T9E0.8
ABAALPHA-AMINOBUTYRIC ACIDC,D2OJU0.8
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMA0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6M0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1H0.8
ABAALPHA-AMINOBUTYRIC ACIDA1CYA0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,D1MF80.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,D2J9K0.8
ABAALPHA-AMINOBUTYRIC ACIDD,E,F1XQ70.8
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P
1C5F0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,I8HVP0.8
ABAALPHA-AMINOBUTYRIC ACIDA1W9N0.8
ABAALPHA-AMINOBUTYRIC ACIDC1CWA0.8
ABAALPHA-AMINOBUTYRIC ACIDA1MQX0.8
ABAALPHA-AMINOBUTYRIC ACIDE,S1Z3L0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,C7HVP0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6J0.8
ABAALPHA-AMINOBUTYRIC ACIDC1IKF0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXS0.8
ABAALPHA-AMINOBUTYRIC ACIDA,M,N2Z6W0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4K0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,I4HVP0.8
ABAALPHA-AMINOBUTYRIC ACIDA2JUV0.8
ABAALPHA-AMINOBUTYRIC ACIDA1AJ10.8
ABAALPHA-AMINOBUTYRIC ACIDB3CYS0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLC0.8
ABAALPHA-AMINOBUTYRIC ACIDA1C2U0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,C2J9J0.8
ABAALPHA-AMINOBUTYRIC ACIDC1CWB0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F1QOW0.8
ABAALPHA-AMINOBUTYRIC ACIDD1QNG0.8
ABAALPHA-AMINOBUTYRIC ACIDA9JDW0.8
ABAALPHA-AMINOBUTYRIC ACIDA1CYB0.8
ABAALPHA-AMINOBUTYRIC ACIDA1WZ50.8
ABAALPHA-AMINOBUTYRIC ACIDA3HVP0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6P0.8
ABAALPHA-AMINOBUTYRIC ACIDC1CYN0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1MTR0.8
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H2RMC0.8
ABAALPHA-AMINOBUTYRIC ACIDA1BBO0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,D,E,F,H1M630.8
ABAALPHA-AMINOBUTYRIC ACIDE,F2ZOL0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXR0.8
ABAALPHA-AMINOBUTYRIC ACIDC1CWM0.8
ABAALPHA-AMINOBUTYRIC ACIDA1CSA0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4L0.8
ABAALPHA-AMINOBUTYRIC ACIDC1CWL0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1R0.8
ABAALPHA-AMINOBUTYRIC ACIDA,C,F,H2C5V0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F2ZSV0.8
ABAALPHA-AMINOBUTYRIC ACIDA,C,E,G,I,J,
K,L
2ZOK0.8
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMB0.8
ABAALPHA-AMINOBUTYRIC ACIDA1MQZ0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.8
ABAALPHA-AMINOBUTYRIC ACIDC1CWH0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
G,H
3BO70.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLD0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCR0.8
ABAALPHA-AMINOBUTYRIC ACIDA,I2O400.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1K090.8
ABAALPHA-AMINOBUTYRIC ACIDB1T1Q0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6K0.8
ABAALPHA-AMINOBUTYRIC ACIDA1MQY0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCK0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6L0.8
ABAALPHA-AMINOBUTYRIC ACIDA2DDE0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1CPI0.8
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1ZIJ0.8
ABAALPHA-AMINOBUTYRIC ACIDA1BAH0.8
ABAALPHA-AMINOBUTYRIC ACIDC,D1QNH0.8
ABAALPHA-AMINOBUTYRIC ACIDT,U,V2POY0.8
ALM1-METHYL-ALANINALI1PAD0.7
ALM1-METHYL-ALANINALI1HNE0.7
ALM1-METHYL-ALANINALA,B,I,J2RDL0.7
ALM1-METHYL-ALANINALI6PAD0.7
DALD-ALANINET,U,V2POY0.79
DALD-ALANINEC1CWI0.79
DALD-ALANINEC,D1QNH0.79
DALD-ALANINEA1CYA0.79
DALD-ALANINEI1HBT0.79
DALD-ALANINEA,B1XOF0.79
DALD-ALANINEA1XT70.79
DALD-ALANINEA2DDE0.79
DALD-ALANINEA,B2Q330.79
DALD-ALANINEA,B,C,D1ZMI0.79
DALD-ALANINEA,B,C,D1SN90.79
DALD-ALANINEA,B,C,D2R3C0.79
DALD-ALANINEC,F,M,N2IAE0.79
DALD-ALANINEA1W9N0.79
DALD-ALANINEC,F,X,Y2NPP0.79
DALD-ALANINEE,S148L0.79
DALD-ALANINEA,B,C,D,E,F1FVM0.79
DALD-ALANINEC1IKF0.79
DALD-ALANINEA1T5N0.79
DALD-ALANINEA,B,C,D1ZMH0.79
DALD-ALANINEC1CWM0.79
DALD-ALANINEC1CWC0.79
DALD-ALANINEA1EVB0.79
DALD-ALANINEB,D,F,H2RMC0.79
DALD-ALANINEA,B,C2YZM0.79
DALD-ALANINEA,B,D,E,F,H1M630.79
DALD-ALANINEC1CWL0.79
DALD-ALANINEB1BZV0.79
DALD-ALANINEA1CSA0.79
DALD-ALANINEA,B,N,P1HHY0.79
DALD-ALANINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,S
1GO60.79
DALD-ALANINEB1MIK0.79
DALD-ALANINED1QNG0.79
DALD-ALANINEA1CYB0.79
DALD-ALANINEA,B,C,D2ZDH0.79
DALD-ALANINEC1CWB0.79
DALD-ALANINEL,N1WCO0.79
DALD-ALANINEC1CWK0.79
DALD-ALANINEA,B,C,H,K,L2R5B0.79
DALD-ALANINEC1CYN0.79
DALD-ALANINEA1QTE0.79
DALD-ALANINEC,F,G,H3DW80.79
DALD-ALANINEA,B2GYP0.79
DALD-ALANINEA,B,C,D,E,F,
G,H
2NYL0.79
DALD-ALANINEA,B,C,D,E,F,
G,H
3BO70.79
DALD-ALANINED1PEK0.79
DALD-ALANINEA,B2J9P0.79
DALD-ALANINEA3DHV0.79
DALD-ALANINEA,B,C,H,K,L2R5D0.79
DALD-ALANINEC1CWH0.79
DALD-ALANINEA1C4B0.79
DALD-ALANINEA,B,C,D3BOG0.79
DALD-ALANINEC2IH10.79
DALD-ALANINEA1T5M0.79
DALD-ALANINEA,B2ZDQ0.79
DALD-ALANINEA1IC90.79
DALD-ALANINEB1VBS0.79
DALD-ALANINEB,D,F,H,J,L,
N,P,R,T
2RMB0.79
DALD-ALANINEA1ICL0.79
DALD-ALANINEA,D2Q3I0.79
DALD-ALANINEC,I2IE30.79
DALD-ALANINEA,B1ZMK0.79
DALD-ALANINEB2K9R0.79
DALD-ALANINEA,B,M,N1FJM0.79
DALD-ALANINEA,B1SNE0.79
DALD-ALANINEB,C3BV90.79
DALD-ALANINEA2HVF0.79
DALD-ALANINEL2EAX0.79
DALD-ALANINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.79
DALD-ALANINEA,B,C,D,E,M1HHU0.79
DALD-ALANINEA,B,C,D1SNA0.79
DALD-ALANINEC1BCK0.79
DALD-ALANINEA1IKI0.79
DALD-ALANINEA,B,D1MF80.79
DALD-ALANINEA,B,C,D2APH0.79
DALD-ALANINEC1CWJ0.79
DALD-ALANINEA1ICO0.79
DALD-ALANINEC,D2OJU0.79
DALD-ALANINEB,D,F,H,J,L,
N,P,R,T
2RMA0.79
DALD-ALANINEA1C0P0.79
DALD-ALANINEA1BFW0.79
DALD-ALANINEA1AJ10.79
DALD-ALANINEA1KTO0.79
DALD-ALANINEA,D1CZQ0.79
DALD-ALANINEB3CYS0.79
DALD-ALANINEC1CWA0.79
DALD-ALANINEC1CWF0.79
DALD-ALANINEA,B1P4N0.79
DALD-ALANINED,E,F1XQ70.79
DALD-ALANINEB,D,F,H,J,L,
N,P
1C5F0.79
DALD-ALANINEC2IH30.79
DALD-ALANINEA,M,N2Z6W0.79
DALD-ALANINEA1EVA0.79
DALD-ALANINEA1LCM0.79
DALD-ALANINEU2AIZ0.79
DALD-ALANINEA,B,C,D,E,F,
G,H
2NYM0.79
BIBBETA-AMINO ISOBUTYRATEA,B1R430.72
BIBBETA-AMINO ISOBUTYRATEA,B,C,D,E,F,
G,H
1R3N0.72