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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02160035

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MSA(2-S-METHYL) SARCOSINEC1CWK0.82
MSA(2-S-METHYL) SARCOSINEC1CWJ0.82
PRSTHIOPROLINEA1SAV0.71
ESD(2-AMINO-ETHYLSULFANYL)-ACETIC ACIDA1K5R0.71
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.75
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.71
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.73
AACACETYLAMINO-ACETIC ACIDA,B1NG30.8
AACACETYLAMINO-ACETIC ACIDA1QD80.8
GSC2-ETHYLTHIO GLYCINEA1FQ60.74
FMEN-FORMYLMETHIONINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.78
FMEN-FORMYLMETHIONINEA1DZA0.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.78
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.78
FMEN-FORMYLMETHIONINEC,H,L,M3PRC0.78
FMEN-FORMYLMETHIONINEC,H,L,M2PRC0.78
FMEN-FORMYLMETHIONINEC,H,L,M1R2C0.78
FMEN-FORMYLMETHIONINEA2W9N0.78
FMEN-FORMYLMETHIONINEA,B,D,E,G,H1KZU0.78
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.78
FMEN-FORMYLMETHIONINEC,H,L,M5PRC0.78
FMEN-FORMYLMETHIONINEA1BQ90.78
FMEN-FORMYLMETHIONINEA2BFR0.78
FMEN-FORMYLMETHIONINEC,D,F1MHC0.78
FMEN-FORMYLMETHIONINEA,B,C1Y4Z0.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.78
FMEN-FORMYLMETHIONINEA,B1QX20.78
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,G1TG60.78
FMEN-FORMYLMETHIONINEA,B,C1Y5N0.78
FMEN-FORMYLMETHIONINEC,H,L,M2I5N0.78
FMEN-FORMYLMETHIONINEA2BFQ0.78
FMEN-FORMYLMETHIONINEA2KAM0.78
FMEN-FORMYLMETHIONINEA,B,C1SIW0.78
FMEN-FORMYLMETHIONINEC,D,I,L1LK60.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.78
FMEN-FORMYLMETHIONINEA1RB90.78
FMEN-FORMYLMETHIONINEC,H,L,M,U1DXR0.78
FMEN-FORMYLMETHIONINEA,B,C,D1DCE0.78
FMEN-FORMYLMETHIONINEC,H,L,M1PRC0.78
FMEN-FORMYLMETHIONINEA,B,C1Y5L0.78
FMEN-FORMYLMETHIONINEA,B,X,Y2G5L0.78
FMEN-FORMYLMETHIONINEA,B,C1Q160.78
FMEN-FORMYLMETHIONINEC,H,L,M2JBL0.78
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,H
2H610.78
FMEN-FORMYLMETHIONINEC,H,L,M6PRC0.78
FMEN-FORMYLMETHIONINEC,H,L,M3D380.78
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.78
FMEN-FORMYLMETHIONINEC,D2FMT0.78
FMEN-FORMYLMETHIONINEA1Q7O0.78
FMEN-FORMYLMETHIONINEA,B3D0Y0.78
FMEN-FORMYLMETHIONINEA,B,C,D1V4G0.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.78
FMEN-FORMYLMETHIONINEC,H,L,M7PRC0.78
FMEN-FORMYLMETHIONINEA,B,C,D,E,F1IJD0.78
FMEN-FORMYLMETHIONINEC,H,L,M1VRN0.78
FMEN-FORMYLMETHIONINEA,B,C1Y5I0.78
AYAN-ACETYLALANINEA1D0W0.77
AYAN-ACETYLALANINEA1AH40.77
AYAN-ACETYLALANINEA,B1VBP0.77
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.77
AYAN-ACETYLALANINEA,B,C,D1OUW0.77
AYAN-ACETYLALANINEA1AH30.77
AYAN-ACETYLALANINEA1EKO0.77
AYAN-ACETYLALANINEB,D,F,H2V4I0.77
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.77
AYAN-ACETYLALANINEA,B,C,D1J4U0.77
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.72
SCYS-ACETYL-CYSTEINEA,B2P8U0.72
SCYS-ACETYL-CYSTEINEA2FA30.72
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.72
SCYS-ACETYL-CYSTEINEA1MJA0.72
SCYS-ACETYL-CYSTEINEA1HNH0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.72
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.72
SCYS-ACETYL-CYSTEINEA2BV50.72
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.72
OGAN-OXALYOLGLYCINEA,B,C,D2OQ60.71
OGAN-OXALYOLGLYCINEA2RDS0.71
OGAN-OXALYOLGLYCINEA1H2M0.71
OGAN-OXALYOLGLYCINEA2QRL0.71
OGAN-OXALYOLGLYCINEA,B,C,D2OX00.71
OGAN-OXALYOLGLYCINEA2RDR0.71
OGAN-OXALYOLGLYCINEA,B,C,D2OS20.71
OGAN-OXALYOLGLYCINEA,B,I,J2PXJ0.71
OGAN-OXALYOLGLYCINEA,B,F,G2Q8E0.71
OGAN-OXALYOLGLYCINEA,B,I,J2P5B0.71
OGAN-OXALYOLGLYCINEA1H2K0.71
OGAN-OXALYOLGLYCINEA,B,C,D2OT70.71
OGAN-OXALYOLGLYCINEA,B2OQ70.71
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.84
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.76
NCYN-METHYLCYSTEINEA1VS20.76
NCYN-METHYLCYSTEINEA1PFE0.76
NCYN-METHYLCYSTEINEA,B2DA80.76
NCYN-METHYLCYSTEINEC,D193D0.76
NCYN-METHYLCYSTEINEA1XVN0.76
NCYN-METHYLCYSTEINEA,B185D0.76
NCYN-METHYLCYSTEINEA1XVK0.76
NCYN-METHYLCYSTEINEA,C1XVR0.76
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.75
MMEN-METHYL METHIONINEA,E,S,W1WDD0.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.75
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.75
MMEN-METHYL METHIONINE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z
1IR20.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.75
CXMN-CARBOXYMETHIONINEA,B1DNA0.78
CXMN-CARBOXYMETHIONINEA,B1JTU0.78
CXMN-CARBOXYMETHIONINEA,B1F4F0.78
CXMN-CARBOXYMETHIONINEA,B3BHL0.78
CXMN-CARBOXYMETHIONINEA,B2G8M0.78
CXMN-CARBOXYMETHIONINEA,C1S3T0.78
CXMN-CARBOXYMETHIONINEA2FTN0.78
CXMN-CARBOXYMETHIONINEA1AJM0.78
CXMN-CARBOXYMETHIONINEA1EV80.78
CXMN-CARBOXYMETHIONINEA,B2G8O0.78
CXMN-CARBOXYMETHIONINEA1EV50.78
CXMN-CARBOXYMETHIONINEA,B1JG00.78
CXMN-CARBOXYMETHIONINEA1FFL0.78
CXMN-CARBOXYMETHIONINEA1BJG0.78
CXMN-CARBOXYMETHIONINEA,B1TLS0.78
CXMN-CARBOXYMETHIONINEA,B1KCE0.78
CXMN-CARBOXYMETHIONINEA,B1NCE0.78
CXMN-CARBOXYMETHIONINEA1TSN0.78
CXMN-CARBOXYMETHIONINEA1F4B0.78
CXMN-CARBOXYMETHIONINEA,B1F4G0.78
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.78
CXMN-CARBOXYMETHIONINEA3B9H0.78
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.78
CXMN-CARBOXYMETHIONINEA3BHR0.78
CXMN-CARBOXYMETHIONINEA,B1KZI0.78
CXMN-CARBOXYMETHIONINEA1EVG0.78
CXMN-CARBOXYMETHIONINEA,B1F4C0.78
CXMN-CARBOXYMETHIONINEA,B1FWM0.78
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.78
CXMN-CARBOXYMETHIONINEA1EVF0.78
CXMN-CARBOXYMETHIONINEA,B1F4D0.78
CXMN-CARBOXYMETHIONINEA,B1JUT0.78
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.78
CXMN-CARBOXYMETHIONINEX2FTO0.78
CXMN-CARBOXYMETHIONINEA,B1AIQ0.78
CXMN-CARBOXYMETHIONINEA1QQQ0.78
CXMN-CARBOXYMETHIONINEA,B1JTQ0.78
CXMN-CARBOXYMETHIONINEA,B1BQ10.78
CXMN-CARBOXYMETHIONINEA,C1UBP0.78
CXMN-CARBOXYMETHIONINEA3BFI0.78
CXMN-CARBOXYMETHIONINEA,B2G8X0.78
CXMN-CARBOXYMETHIONINEA,B2VF00.78
CXMN-CARBOXYMETHIONINEA,B1ZPR0.78
CXMN-CARBOXYMETHIONINEA3BGX0.78
CXMN-CARBOXYMETHIONINEA1TYS0.78
CXMN-CARBOXYMETHIONINEA2FTQ0.78
CXMN-CARBOXYMETHIONINEA1F4E0.78
CXMN-CARBOXYMETHIONINEA,C1IE70.78
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.85
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.85
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.85
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.84
AMEN-ACETYLMETHIONINEA,B2J4Y0.84
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.72
N2CN,S-DIMETHYLCYSTEINEA1XVK0.8
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.8
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.8
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.71
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.71
YMA7,10,13-TRI(CARBOXYMETHYL)-5,15-
DIOXO-4,7,10,13,16-PENTAAZA-1,19-
DITHIANONADECANE
A1PY00.71
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.78
IPGN-ISOPROPYL GLYCINEC,D2SEM0.73
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.79
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.7
SMCS-METHYLCYSTEINEA1U8B0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.7
SMCS-METHYLCYSTEINEA1FQ40.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.7
SMCS-METHYLCYSTEINEI1E820.7
SMCS-METHYLCYSTEINEI1E810.7
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.7
SMCS-METHYLCYSTEINEA1LFO0.7
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.7
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.7
SMCS-METHYLCYSTEINE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z
1IR20.7
SMCS-METHYLCYSTEINEA1ZGW0.7
SMCS-METHYLCYSTEINEE,I1EPN0.7
SMCS-METHYLCYSTEINEA,B,C2OB20.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.7
SMCS-METHYLCYSTEINEP1CZI0.7
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.7
SMCS-METHYLCYSTEINEA,I1GVT0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.7
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.7
SMCS-METHYLCYSTEINEA1EH70.7
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.7
SMCS-METHYLCYSTEINEA1WPK0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.7
CYKN-hexanoyl-L-homocysteineA3DHC0.71
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.71