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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201943

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSAS-ACETONYLCYSTEINEA,B1DWQ0.74
KRI(S)-2-AMINO-4-[(2S,3R)-2,3,5-TRIHYDROXY-
4-OXO-PENTYL]MERCAPTO-BUTYRIC ACID		A1YCL0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.74
SCYS-ACETYL-CYSTEINEA,B2P8U0.74
SCYS-ACETYL-CYSTEINEA2FA30.74
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.74
SCYS-ACETYL-CYSTEINEA1MJA0.74
SCYS-ACETYL-CYSTEINEA1HNH0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.74
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.74
SCYS-ACETYL-CYSTEINEA2BV50.74
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.74
H1D(2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-
3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID		A2FQT0.72
42B4-AMINO-2-HYDROXYBUTANOIC ACIDB1O9M0.72
HYI(2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-
3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID		A2FQO0.72
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		C2R000.71
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		A,B1NWH0.71
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		A1NX60.71
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		A1PU20.71
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		A,B1Q2X0.71
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.77
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.81
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.74
SLZL-THIALYSINEA,B,D,E,F2O6V0.74
SLZL-THIALYSINEA,B,D2J9K0.74
SLZL-THIALYSINEL1BM20.74
SLZL-THIALYSINEX3DIG0.74
SLZL-THIALYSINEA,B,C2J9J0.74
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W		1UZD0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDI0.72
SMCS-METHYLCYSTEINEA1U8B0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDH0.72
SMCS-METHYLCYSTEINEA1FQ40.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V630.72
SMCS-METHYLCYSTEINEI1E820.72
SMCS-METHYLCYSTEINEI1E810.72
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W		1UW90.72
SMCS-METHYLCYSTEINEA1LFO0.72
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V		1UWA0.72
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.72
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		1IR20.72
SMCS-METHYLCYSTEINEA1ZGW0.72
SMCS-METHYLCYSTEINEE,I1EPN0.72
SMCS-METHYLCYSTEINEA,B,C2OB20.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V670.72
SMCS-METHYLCYSTEINEP1CZI0.72
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.72
SMCS-METHYLCYSTEINEA,I1GVT0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V680.72
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W		1UZH0.72
SMCS-METHYLCYSTEINEA1EH70.72
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O		1GK80.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V6A0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V690.72
SMCS-METHYLCYSTEINEA1WPK0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.72
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.74
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.74
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.74
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.74
ESD(2-AMINO-ETHYLSULFANYL)-ACETIC ACIDA1K5R0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW40.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F2C5Q0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P		1JZ10.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2C4O0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEV0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1HQS0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G5O0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2G4L0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFA0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1PZG0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1V0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Q9U0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1QQQ0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM40.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1WDR0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2EF80.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMY0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P		1JYZ0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWY0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1PME0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1Y8Z0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI40.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWX0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2VB00.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2FAI0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1QVV0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3FS50.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XOS0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GES0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMU0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1J3H0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2CLW0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKO0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1ELJ0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEE1R8M0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFF0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XOT0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUD0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVF0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OQX0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2J0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3C7Q0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1QVW0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,C,D1K2X0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1ZKY0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2A2J0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV80.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1WZ90.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YHS0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GA80.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GAA0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3B0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZPK0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1Z0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A1V0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A2T0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2H0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YPV0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H		1JYY0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1Z8C0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QXS0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3ET00.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3A0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSH0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFH0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V1P0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1OCS0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G440.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2J830.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV50.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6Y0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V0Y0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2Q590.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JVY0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3C0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2AQ50.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,E1S9D0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JEO0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2CZL0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OCF0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI30.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
Y,Z		2OX50.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVG0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2RD80.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B230.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C1HQG0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2CFA0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P		1GHO0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLX0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKK0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW30.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1JN90.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,D,F,H,J,L1YKP0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLZ0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TAZ0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GET0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QA80.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QZO0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XV50.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H		1JZ00.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XN00.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1UPI0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKM0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM60.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKN0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2ONB0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TLV0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1HVY0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3D6I0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1OCU0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZBG0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEU0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2HAI0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUC0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H		1F490.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6S0.72
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSJ0.72
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.71
OCYHYDROXYETHYLCYSTEINEA1VSH0.81
OCYHYDROXYETHYLCYSTEINEA3FV80.81
OCYHYDROXYETHYLCYSTEINEA3FI30.81
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.81
OCYHYDROXYETHYLCYSTEINEA1VSI0.81
OCYHYDROXYETHYLCYSTEINEA1VSJ0.81
OCYHYDROXYETHYLCYSTEINEA1VSD0.81
OCYHYDROXYETHYLCYSTEINEA3FI20.81