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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00690701

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.83
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
271N-methyl-1-phenylmethanamineX2RBT0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
BZZBENZYLHYDRAZINEA,B2E2V0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.77
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.7
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
DPKDEPRENYLA,B2BYB0.79
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.7
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
TTXTENTOXINB1KMH0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
PRA3-PHENYLPROPYLAMINEA1TNK0.77
PRA3-PHENYLPROPYLAMINEM1UTL0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.77
PBN4-PHENYLBUTYLAMINEA1UTP0.77
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.79
CPUA,B1CR60.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.85
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.73
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.73
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72