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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00452589

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRSTHIOPROLINEA1SAV0.71
MHOS-OXYMETHIONINEA,B2A9E0.7
MHOS-OXYMETHIONINEA1ST20.7
MHOS-OXYMETHIONINEA1NLR0.7
MHOS-OXYMETHIONINEA2IDU0.7
MHOS-OXYMETHIONINEA3D940.7
MHOS-OXYMETHIONINEA1EK00.7
MHOS-OXYMETHIONINEA1UP20.7
MHOS-OXYMETHIONINEA1XJO0.7
MHOS-OXYMETHIONINEA,E2IUF0.7
MHOS-OXYMETHIONINEA1SF50.7
MHOS-OXYMETHIONINEA1UP00.7
MHOS-OXYMETHIONINEA9PTI0.7
MHOS-OXYMETHIONINEA2IDT0.7
MHOS-OXYMETHIONINEA2QDV0.7
MHOS-OXYMETHIONINEA2QDW0.7
MHOS-OXYMETHIONINEA,B1F4G0.7
MHOS-OXYMETHIONINEA,B2IQF0.7
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.86
AMEN-ACETYLMETHIONINEA,B2J4Y0.86
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.86
SHCS-HEXYLCYSTEINEI,J1GSS0.7
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.73
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.73
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.73
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.73
2MMN,N-dimethyl-L-methionineA,B,C,E,F,G,
I,J,K,M,N,O
3CJT0.74
2MMN,N-dimethyl-L-methionineA,B,D,E,G,H3CJQ0.74
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.71
GTXS-HEXYLGLUTATHIONEA,B1AGS0.71
GTXS-HEXYLGLUTATHIONEA,B1PN90.71
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.71
GTXS-HEXYLGLUTATHIONEA,B2IMK0.71
GTXS-HEXYLGLUTATHIONEA,B4GSS0.71
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.71
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.71
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.71
GTXS-HEXYLGLUTATHIONEA,B2GLR0.71
GTXS-HEXYLGLUTATHIONEA,B2OA70.71
GTXS-HEXYLGLUTATHIONEA,C2AAW0.71
GTXS-HEXYLGLUTATHIONEA,B1VF20.71
GTXS-HEXYLGLUTATHIONEA1M9A0.71
GTXS-HEXYLGLUTATHIONEA,B17GS0.71
GTXS-HEXYLGLUTATHIONEA,B1K0A0.71
GTXS-HEXYLGLUTATHIONEA,B2R3X0.71
GTXS-HEXYLGLUTATHIONEA,B1GSU0.71
GTXS-HEXYLGLUTATHIONEA,B2C800.71
GTXS-HEXYLGLUTATHIONEA,B2R6K0.71
GTXS-HEXYLGLUTATHIONEA,B1PGT0.71
GTXS-HEXYLGLUTATHIONEA,B2J9H0.71
GTXS-HEXYLGLUTATHIONEA,B1K3L0.71
GTXS-HEXYLGLUTATHIONEA,B1GNW0.71
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.71
GTXS-HEXYLGLUTATHIONEA,B1YDK0.71
GTXS-HEXYLGLUTATHIONEA,B9GSS0.71
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.77
4MM(1S)-1-carboxy-N,N,N-trimethyl-
3-(methylsulfanyl)propan-1-aminium
A,B3EGV0.77
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.73
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.78
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.71
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.71
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.77
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.76
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.74
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.95
FMEN-FORMYLMETHIONINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.86
FMEN-FORMYLMETHIONINEA1DZA0.86
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.86
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.86
FMEN-FORMYLMETHIONINEC,H,L,M3PRC0.86
FMEN-FORMYLMETHIONINEC,H,L,M2PRC0.86
FMEN-FORMYLMETHIONINEC,H,L,M1R2C0.86
FMEN-FORMYLMETHIONINEA2W9N0.86
FMEN-FORMYLMETHIONINEA,B,D,E,G,H1KZU0.86
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.86
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.86
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.86
FMEN-FORMYLMETHIONINEC,H,L,M5PRC0.86
FMEN-FORMYLMETHIONINEA1BQ90.86
FMEN-FORMYLMETHIONINEA2BFR0.86
FMEN-FORMYLMETHIONINEC,D,F1MHC0.86
FMEN-FORMYLMETHIONINEA,B,C1Y4Z0.86
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.86
FMEN-FORMYLMETHIONINEA,B1QX20.86
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,G1TG60.86
FMEN-FORMYLMETHIONINEA,B,C1Y5N0.86
FMEN-FORMYLMETHIONINEC,H,L,M2I5N0.86
FMEN-FORMYLMETHIONINEA2BFQ0.86
FMEN-FORMYLMETHIONINEA2KAM0.86
FMEN-FORMYLMETHIONINEA,B,C1SIW0.86
FMEN-FORMYLMETHIONINEC,D,I,L1LK60.86
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.86
FMEN-FORMYLMETHIONINEA1RB90.86
FMEN-FORMYLMETHIONINEC,H,L,M,U1DXR0.86
FMEN-FORMYLMETHIONINEA,B,C,D1DCE0.86
FMEN-FORMYLMETHIONINEC,H,L,M1PRC0.86
FMEN-FORMYLMETHIONINEA,B,C1Y5L0.86
FMEN-FORMYLMETHIONINEA,B,X,Y2G5L0.86
FMEN-FORMYLMETHIONINEA,B,C1Q160.86
FMEN-FORMYLMETHIONINEC,H,L,M2JBL0.86
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,H
2H610.86
FMEN-FORMYLMETHIONINEC,H,L,M6PRC0.86
FMEN-FORMYLMETHIONINEC,H,L,M3D380.86
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.86
FMEN-FORMYLMETHIONINEC,D2FMT0.86
FMEN-FORMYLMETHIONINEA1Q7O0.86
FMEN-FORMYLMETHIONINEA,B3D0Y0.86
FMEN-FORMYLMETHIONINEA,B,C,D1V4G0.86
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.86
FMEN-FORMYLMETHIONINEC,H,L,M7PRC0.86
FMEN-FORMYLMETHIONINEA,B,C,D,E,F1IJD0.86
FMEN-FORMYLMETHIONINEC,H,L,M1VRN0.86
FMEN-FORMYLMETHIONINEA,B,C1Y5I0.86
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.84
MMEN-METHYL METHIONINEA,E,S,W1WDD0.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.84
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.84
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
1IR20.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.84
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.7
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.7
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.75
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.75
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.75
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.7
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.73
CXMN-CARBOXYMETHIONINEA,B1DNA0.86
CXMN-CARBOXYMETHIONINEA,B1JTU0.86
CXMN-CARBOXYMETHIONINEA,B1F4F0.86
CXMN-CARBOXYMETHIONINEA,B3BHL0.86
CXMN-CARBOXYMETHIONINEA,B2G8M0.86
CXMN-CARBOXYMETHIONINEA,C1S3T0.86
CXMN-CARBOXYMETHIONINEA2FTN0.86
CXMN-CARBOXYMETHIONINEA1AJM0.86
CXMN-CARBOXYMETHIONINEA1EV80.86
CXMN-CARBOXYMETHIONINEA,B2G8O0.86
CXMN-CARBOXYMETHIONINEA1EV50.86
CXMN-CARBOXYMETHIONINEA,B1JG00.86
CXMN-CARBOXYMETHIONINEA1FFL0.86
CXMN-CARBOXYMETHIONINEA1BJG0.86
CXMN-CARBOXYMETHIONINEA,B1TLS0.86
CXMN-CARBOXYMETHIONINEA,B1KCE0.86
CXMN-CARBOXYMETHIONINEA,B1NCE0.86
CXMN-CARBOXYMETHIONINEA1TSN0.86
CXMN-CARBOXYMETHIONINEA1F4B0.86
CXMN-CARBOXYMETHIONINEA,B1F4G0.86
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.86
CXMN-CARBOXYMETHIONINEA3B9H0.86
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.86
CXMN-CARBOXYMETHIONINEA3BHR0.86
CXMN-CARBOXYMETHIONINEA,B1KZI0.86
CXMN-CARBOXYMETHIONINEA1EVG0.86
CXMN-CARBOXYMETHIONINEA,B1F4C0.86
CXMN-CARBOXYMETHIONINEA,B1FWM0.86
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.86
CXMN-CARBOXYMETHIONINEA1EVF0.86
CXMN-CARBOXYMETHIONINEA,B1F4D0.86
CXMN-CARBOXYMETHIONINEA,B1JUT0.86
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.86
CXMN-CARBOXYMETHIONINEX2FTO0.86
CXMN-CARBOXYMETHIONINEA,B1AIQ0.86
CXMN-CARBOXYMETHIONINEA1QQQ0.86
CXMN-CARBOXYMETHIONINEA,B1JTQ0.86
CXMN-CARBOXYMETHIONINEA,B1BQ10.86
CXMN-CARBOXYMETHIONINEA,C1UBP0.86
CXMN-CARBOXYMETHIONINEA3BFI0.86
CXMN-CARBOXYMETHIONINEA,B2G8X0.86
CXMN-CARBOXYMETHIONINEA,B2VF00.86
CXMN-CARBOXYMETHIONINEA,B1ZPR0.86
CXMN-CARBOXYMETHIONINEA3BGX0.86
CXMN-CARBOXYMETHIONINEA1TYS0.86
CXMN-CARBOXYMETHIONINEA2FTQ0.86
CXMN-CARBOXYMETHIONINEA1F4E0.86
CXMN-CARBOXYMETHIONINEA,C1IE70.86
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.78
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.74
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.73
MEDD-METHIONINEA1Y9Q0.74
MEDD-METHIONINEA,B2Q330.74
MEDD-METHIONINEA1ZUE0.74
MEDD-METHIONINEA1KQ00.74
MEDD-METHIONINEA,B3GP40.74
MEDD-METHIONINEA1TKJ0.74
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A3H7K0.81
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A,B,C,D,E,F,
G,H
2JER0.81
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.8
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.73
NCYN-METHYLCYSTEINEA1VS20.73
NCYN-METHYLCYSTEINEA1PFE0.73
NCYN-METHYLCYSTEINEA,B2DA80.73
NCYN-METHYLCYSTEINEC,D193D0.73
NCYN-METHYLCYSTEINEA1XVN0.73
NCYN-METHYLCYSTEINEA,B185D0.73
NCYN-METHYLCYSTEINEA1XVK0.73
NCYN-METHYLCYSTEINEA,C1XVR0.73
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.71
SMEMETHIONINE SULFOXIDEA1GWF0.7
SMEMETHIONINE SULFOXIDEA2JUY0.7
SMEMETHIONINE SULFOXIDEA2O7A0.7
SMEMETHIONINE SULFOXIDEA2ATM0.7
SMEMETHIONINE SULFOXIDEA,B1GM90.7
SMEMETHIONINE SULFOXIDEA1BA60.7
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OQE0.7
SMEMETHIONINE SULFOXIDEA,B1GM70.7
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OOV0.7
SMEMETHIONINE SULFOXIDEA,B1GKF0.7
SMEMETHIONINE SULFOXIDEA1WMF0.7
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.72
NC3N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINEP1ZD20.72
N2CN,S-DIMETHYLCYSTEINEA1XVK0.79
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.79
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.79
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.72
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-homocysteineA3DHC0.76
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.76
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B2J8R0.72
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J
2D3B0.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.75
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.75