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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03714740

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4MM(1S)-1-carboxy-N,N,N-trimethyl-
3-(methylsulfanyl)propan-1-aminium
A,B3EGV0.7
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.72
AYAN-ACETYLALANINEA1D0W0.75
AYAN-ACETYLALANINEA1AH40.75
AYAN-ACETYLALANINEA,B1VBP0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.75
AYAN-ACETYLALANINEA,B,C,D1OUW0.75
AYAN-ACETYLALANINEA1AH30.75
AYAN-ACETYLALANINEA1EKO0.75
AYAN-ACETYLALANINEB,D,F,H2V4I0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.75
AYAN-ACETYLALANINEA,B,C,D1J4U0.75
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.73
CSAS-ACETONYLCYSTEINEA,B1DWQ0.77
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.81
CXMN-CARBOXYMETHIONINEA,B1DNA0.91
CXMN-CARBOXYMETHIONINEA,B1JTU0.91
CXMN-CARBOXYMETHIONINEA,B1F4F0.91
CXMN-CARBOXYMETHIONINEA,B3BHL0.91
CXMN-CARBOXYMETHIONINEA,B2G8M0.91
CXMN-CARBOXYMETHIONINEA,C1S3T0.91
CXMN-CARBOXYMETHIONINEA2FTN0.91
CXMN-CARBOXYMETHIONINEA1AJM0.91
CXMN-CARBOXYMETHIONINEA1EV80.91
CXMN-CARBOXYMETHIONINEA,B2G8O0.91
CXMN-CARBOXYMETHIONINEA1EV50.91
CXMN-CARBOXYMETHIONINEA,B1JG00.91
CXMN-CARBOXYMETHIONINEA1FFL0.91
CXMN-CARBOXYMETHIONINEA1BJG0.91
CXMN-CARBOXYMETHIONINEA,B1TLS0.91
CXMN-CARBOXYMETHIONINEA,B1KCE0.91
CXMN-CARBOXYMETHIONINEA,B1NCE0.91
CXMN-CARBOXYMETHIONINEA1TSN0.91
CXMN-CARBOXYMETHIONINEA1F4B0.91
CXMN-CARBOXYMETHIONINEA,B1F4G0.91
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.91
CXMN-CARBOXYMETHIONINEA3B9H0.91
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.91
CXMN-CARBOXYMETHIONINEA3BHR0.91
CXMN-CARBOXYMETHIONINEA,B1KZI0.91
CXMN-CARBOXYMETHIONINEA1EVG0.91
CXMN-CARBOXYMETHIONINEA,B1F4C0.91
CXMN-CARBOXYMETHIONINEA,B1FWM0.91
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.91
CXMN-CARBOXYMETHIONINEA1EVF0.91
CXMN-CARBOXYMETHIONINEA,B1F4D0.91
CXMN-CARBOXYMETHIONINEA,B1JUT0.91
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.91
CXMN-CARBOXYMETHIONINEX2FTO0.91
CXMN-CARBOXYMETHIONINEA,B1AIQ0.91
CXMN-CARBOXYMETHIONINEA1QQQ0.91
CXMN-CARBOXYMETHIONINEA,B1JTQ0.91
CXMN-CARBOXYMETHIONINEA,B1BQ10.91
CXMN-CARBOXYMETHIONINEA,C1UBP0.91
CXMN-CARBOXYMETHIONINEA3BFI0.91
CXMN-CARBOXYMETHIONINEA,B2G8X0.91
CXMN-CARBOXYMETHIONINEA,B2VF00.91
CXMN-CARBOXYMETHIONINEA,B1ZPR0.91
CXMN-CARBOXYMETHIONINEA3BGX0.91
CXMN-CARBOXYMETHIONINEA1TYS0.91
CXMN-CARBOXYMETHIONINEA2FTQ0.91
CXMN-CARBOXYMETHIONINEA1F4E0.91
CXMN-CARBOXYMETHIONINEA,C1IE70.91
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.85
AMEN-ACETYLMETHIONINEA,B2J4Y0.85
2MMN,N-dimethyl-L-methionineA,B,C,E,F,G,
I,J,K,M,N,O
3CJT0.72
2MMN,N-dimethyl-L-methionineA,B,D,E,G,H3CJQ0.72
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.8
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.8
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.8
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.8
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.74
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.76
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.75
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.72
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.72
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.72
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.82
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.7
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.71
CSRS-ARSONOCYSTEINEA1SK10.7
CSRS-ARSONOCYSTEINEA1JZW0.7
CSRS-ARSONOCYSTEINEA1OKG0.7
CSRS-ARSONOCYSTEINEA1LJU0.7
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.76
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.72