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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03206889

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW40.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F2C5Q0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JZ10.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2C4O0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEV0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1HQS0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G5O0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2G4L0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFA0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1PZG0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1V0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Q9U0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1QQQ0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM40.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1WDR0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2EF80.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMY0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JYZ0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWY0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1PME0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1Y8Z0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI40.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWX0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2VB00.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2FAI0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1QVV0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3FS50.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XOS0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GES0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMU0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1J3H0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2CLW0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKO0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1ELJ0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEE1R8M0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFF0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XOT0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUD0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVF0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OQX0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2J0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3C7Q0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1QVW0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,C,D1K2X0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1ZKY0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2A2J0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV80.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1WZ90.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YHS0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GA80.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GAA0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3B0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZPK0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1Z0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A1V0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A2T0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2H0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YPV0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JYY0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1Z8C0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QXS0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3ET00.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3A0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSH0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFH0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V1P0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1OCS0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G440.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2J830.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV50.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6Y0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V0Y0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2Q590.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JVY0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3C0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2AQ50.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,E1S9D0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JEO0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2CZL0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OCF0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI30.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
Y,Z
2OX50.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVG0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2RD80.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B230.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C1HQG0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2CFA0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1GHO0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLX0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKK0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW30.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1JN90.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,D,F,H,J,L1YKP0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLZ0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TAZ0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GET0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QA80.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QZO0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XV50.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JZ00.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XN00.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1UPI0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKM0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM60.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKN0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2ONB0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TLV0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1HVY0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3D6I0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1OCU0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZBG0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEU0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2HAI0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUC0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1F490.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6S0.8
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSJ0.8
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.72
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.72
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.72
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.71
SEL2-AMINO-1,3-PROPANEDIOLD1D5X0.74
SCHS-METHYL-THIO-CYSTEINEA1AEX0.72
SCHS-METHYL-THIO-CYSTEINEA,B1K720.72
SCHS-METHYL-THIO-CYSTEINEA1YAL0.72
SCHS-METHYL-THIO-CYSTEINEA1FXD0.72
SCHS-METHYL-THIO-CYSTEINEA1YPV0.72
BPE(2S)-2-AMINO-3-[(3-AMINOPROPYL)SULFANYL]PROPAN-
1-OL
A,B,C1ZPG0.86
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.72
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.71
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.71
EFCS,S-(2-FLUOROETHYL)THIOCYSTEINEA1A3T0.7
OCYHYDROXYETHYLCYSTEINEA1VSH0.71
OCYHYDROXYETHYLCYSTEINEA3FV80.71
OCYHYDROXYETHYLCYSTEINEA3FI30.71
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.71
OCYHYDROXYETHYLCYSTEINEA1VSI0.71
OCYHYDROXYETHYLCYSTEINEA1VSJ0.71
OCYHYDROXYETHYLCYSTEINEA1VSD0.71
OCYHYDROXYETHYLCYSTEINEA3FI20.71