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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03379389

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RETRETINALA1H2S0.77
RETRETINALA,B3COD0.77
RETRETINALA1JGJ0.77
RETRETINALA1AP90.77
RETRETINALA1BRX0.77
RETRETINALA2ZFE0.77
RETRETINALA,B1Q5I0.77
RETRETINALA1O0A0.77
RETRETINALA2AT90.77
RETRETINALA,B1PY60.77
RETRETINALA1QM80.77
RETRETINALA2I1X0.77
RETRETINALA,B2HPY0.77
RETRETINALA1P8U0.77
RETRETINALA1GUE0.77
RETRETINALA,B,C1BRR0.77
RETRETINALA,B1KME0.77
RETRETINALA1MGY0.77
RETRETINALA,B1E120.77
RETRETINALA1FBB0.77
RETRETINAL11X0I0.77
RETRETINALA1P8H0.77
RETRETINAL11X0K0.77
RETRETINALA,B1PXR0.77
RETRETINALA2G790.77
RETRETINALA3C9M0.77
RETRETINALA,B3COC0.77
RETRETINALA1XJI0.77
RETRETINALA,B1GZM0.77
RETRETINALA2JAF0.77
RETRETINALA1F4Z0.77
RETRETINALA1R2N0.77
RETRETINALA1UCQ0.77
RETRETINALA,B1S530.77
RETRETINALA2I210.77
RETRETINALA,B1PXS0.77
RETRETINALA,B1E0P0.77
RETRETINALA1M0L0.77
RETRETINALA3C9L0.77
RETRETINALA1JV70.77
RETRETINALA1KG90.77
RETRETINALA1S8J0.77
RETRETINALA,B2Z730.77
RETRETINALA,B1S540.77
RETRETINALA1AT90.77
RETRETINALA1C8R0.77
RETRETINALA,B1CWQ0.77
RETRETINALA1QHJ0.77
RETRETINALA,B,C,D1OPB0.77
RETRETINALA1DZE0.77
RETRETINALA1IXF0.77
RETRETINALA,B1S520.77
RETRETINALA,B,D,E2Z550.77
RETRETINALA1X0S0.77
RETRETINALA,B1S510.77
RETRETINALA1C8S0.77
RETRETINALA2NTU0.77
RETRETINALA1C3W0.77
RETRETINALA,B1TN00.77
RETRETINALA,B1TN50.77
RETRETINALA,B1U190.77
RETRETINALA2F950.77
RETRETINALA,B1F880.77
RETRETINALA1GU80.77
RETRETINALA1QKO0.77
RETRETINALA,B3DDL0.77
RETRETINALA,B1HZX0.77
RETRETINALA,B2PED0.77
RETRETINALA1P8I0.77
RETRETINALA1LN60.77
RETRETINALA2I200.77
RETRETINALA1H680.77
RETRETINALA2I350.77
RETRETINALA1R840.77
RETRETINALA1BRD0.77
RETRETINALA2F930.77
RETRETINALA2ZIY0.77
RETRETINALA1KG80.77
RETRETINALA1QKP0.77
RETRETINALA2BRD0.77
RETRETINALA1JV60.77
RETRETINALA,B1L9H0.77
RETRETINALA1FBK0.77
RETRETINALA1IW60.77
RETRETINALA1M0M0.77
RETRETINALA1VJM0.77
RETRETINALA1BM10.77
RETRETINALA2JAG0.77
RETRETINALA2NTW0.77
RETRETINALA,B1UAZ0.77
RETRETINALA1S8L0.77
RETRETINALA1KGB0.77
RETRETINALA1IW90.77
RETRETINALA,B1VGO0.77
RETRETINALA,B2G870.77
RETRETINALA1XIO0.77
RETRETINALA1JFP0.77
RETRETINALA2EI40.77
RETRETINALA1M0K0.77
RETRETINALA1F500.77
RETRETINALA,B1Q5J0.77
AZEALL-TRANS AXEROPHTHENEA2G7B0.71
AZEALL-TRANS AXEROPHTHENEA1FEN0.71
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE
A,B1M980.72
STRPROGESTERONEA1H600.74
STRPROGESTERONEA,B,C1YA30.74
STRPROGESTERONEA,B2AA60.74
STRPROGESTERONEA1MRQ0.74
STRPROGESTERONEA,B1A280.74
STRPROGESTERONEA,B2AA50.74
STRPROGESTERONEA2HZQ0.74
STRPROGESTERONEA1W0F0.74
STRPROGESTERONEA2ABA0.74
STRPROGESTERONEA,B3COT0.74
STRPROGESTERONEH1DBB0.74
STRPROGESTERONEH,L2O5Y0.74
PL92,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-
NONAMETHYL-2,6,10,14,18,22,26,30,34-
HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-
1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-
1,4-BENZOQUINONE
A,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.7
PL92,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-
NONAMETHYL-2,6,10,14,18,22,26,30,34-
HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-
1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-
1,4-BENZOQUINONE
A,B,C,D,E,F,
J,K,V
1S5L0.7
PL92,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-
NONAMETHYL-2,6,10,14,18,22,26,30,34-
HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-
1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-
1,4-BENZOQUINONE
A,B,C,D,E,N,
O,P,Q,R
1VF50.7
PL92,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-
NONAMETHYL-2,6,10,14,18,22,26,30,34-
HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-
1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-
1,4-BENZOQUINONE
A,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.7
PL92,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-
NONAMETHYL-2,6,10,14,18,22,26,30,34-
HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-
1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-
1,4-BENZOQUINONE
Z1W5C0.7
PL92,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-
NONAMETHYL-2,6,10,14,18,22,26,30,34-
HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-
1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-
1,4-BENZOQUINONE
A,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.7
LSR1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-
1,3-dien-1-yl]cyclohexene
A3CR60.73
OXR4-OXORETINOLA,B1X8L0.79
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.74
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.74
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.74
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.74
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.74
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.74
ASD4-ANDROSTENE-3-17-DIONEA1XF00.74
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.74
PQ95-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-
HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-
HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-
QUINONE
A,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.7
PQ95-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-
HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-
HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-
QUINONE
A,B,C,D,F,H,
K,L,T,V,Z
3A0H0.7
PQ95-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-
HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-
HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-
QUINONE
A,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.7